1-tert-butyl-4-(cyclopropylmethyl)piperazine;1-tert-butyl-N-(2-fluoropropyl)piperidin-3-amine;1-tert-butyl-4-(2-methoxyethyl)-2-methylpiperidine;1-tert-butyl-4-(2-methoxyethyl)piperazine;1-tert-butyl-4-methylpiperazine;bis(1-(4-tert-butylpiperazin-1-yl)ethanone);1-tert-butylpiperidine;1-tert-butylpiperidin-3-one;(1-tert-butylpiperidin-2-yl) formate;1-(1-tert-butylpiperidin-4-yl)oxypropan-2-one;1-tert-butyl-4-propylpiperazine;1-tert-butyl-N-propylpiperidin-3-amine;methane

C144H304FN21O9 — CID 157465153

IUPAC1-tert-butyl-4-(cyclopropylmethyl)piperazine;1-tert-butyl-N-(2-fluoropropyl)piperidin-3-amine;1-tert-butyl-4-(2-methoxyethyl)-2-methylpiperidine;1-tert-butyl-4-(2-methoxyethyl)piperazine;1-tert-butyl-4-methylpiperazine;bis(1-(4-tert-butylpiperazin-1-yl)ethanone);1-tert-butylpiperidine;1-tert-butylpiperidin-3-one;(1-tert-butylpiperidin-2-yl) formate;1-(1-tert-butylpiperidin-4-yl)oxypropan-2-one;1-tert-butyl-4-propylpiperazine;1-tert-butyl-N-propylpiperidin-3-amine;methane
SMILESC.C.C.C.CC(=O)COC1CCN(C(C)(C)C)CC1.CC(=O)N1CCN(C(C)(C)C)CC1.CC(=O)N1CCN(C(C)(C)C)CC1.CC(C)(C)N1CCCC(=O)C1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1OC=O.CC(C)(C)N1CCN(CC2CC2)CC1.CC(F)CNC1CCCN(C(C)(C)C)C1.CCCN1CCN(C(C)(C)C)CC1.CCCNC1CCCN(C(C)(C)C)C1.CN1CCN(C(C)(C)C)CC1.COCCC1CCN(C(C)(C)C)C(C)C1.COCCN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C13H27NO.C12H25FN2.C12H24N2.C12H26N2.C12H23NO2.C11H24N2O.C11H24N2.2C10H20N2O.C10H19NO2.C9H20N2.C9H17NO.C9H19N.4CH4/c1-11-10-12(7-9-15-5)6-8-14(11)13(2,3)4;1-10(13)8-14-11-6-5-7-15(9-11)12(2,3)4;1-12(2,3)14-8-6-13(7-9-14)10-11-4-5-11;1-5-8-13-11-7-6-9-14(10-11)12(2,3)4;1-10(14)9-15-11-5-7-13(8-6-11)12(2,3)4;1-11(2,3)13-7-5-12(6-8-13)9-10-14-4;1-5-6-12-7-9-13(10-8-12)11(2,3)4;2*1-9(13)11-5-7-12(8-6-11)10(2,3)4;1-10(2,3)11-7-5-4-6-9(11)13-8-12;1-9(2,3)11-7-5-10(4)6-8-11;1-9(2,3)10-6-4-5-8(11)7-10;1-9(2,3)10-7-5-4-6-8-10;;;;/h11-12H,6-10H2,1-5H3;10-11,14H,5-9H2,1-4H3;11H,4-10H2,1-3H3;11,13H,5-10H2,1-4H3;11H,5-9H2,1-4H3;5-10H2,1-4H3;5-10H2,1-4H3;2*5-8H2,1-4H3;8-9H,4-7H2,1-3H3;5-8H2,1-4H3;4-7H2,1-3H3;4-8H2,1-3H3;4*1H4
InChIKeyBUJPUTYWTLNGRC-UHFFFAOYSA-N
MW2493.15 g/mol
LogP24.86
Rot. Bonds21

About 1-tert-butyl-4-(cyclopropylmethyl)piperazine;1-tert-butyl-N-(2-fluoropropyl)piperidin-3-amine;1-tert-butyl-4-(2-methoxyethyl)-2-methylpiperidine;1-tert-butyl-4-(2-methoxyethyl)piperazine;1-tert-butyl-4-methylpiperazine;bis(1-(4-tert-butylpiperazin-1-yl)ethanone);1-tert-butylpiperidine;1-tert-butylpiperidin-3-one;(1-tert-butylpiperidin-2-yl) formate;1-(1-tert-butylpiperidin-4-yl)oxypropan-2-one;1-tert-butyl-4-propylpiperazine;1-tert-butyl-N-propylpiperidin-3-amine;methane

1-tert-butyl-4-(cyclopropylmethyl)piperazine;1-tert-butyl-N-(2-fluoropropyl)piperidin-3-amine;1-tert-butyl-4-(2-methoxyethyl)-2-methylpiperidine;1-tert-butyl-4-(2-methoxyethyl)piperazine;1-tert-butyl-4-methylpiperazine;bis(1-(4-tert-butylpiperazin-1-yl)ethanone);1-tert-butylpiperidine;1-tert-butylpiperidin-3-one;(1-tert-butylpiperidin-2-yl) formate;1-(1-tert-butylpiperidin-4-yl)oxypropan-2-one;1-tert-butyl-4-propylpiperazine;1-tert-butyl-N-propylpiperidin-3-amine;methane (PubChem CID 157465153) has the molecular formula C144H304FN21O9 and a molecular weight of 2493.15 g/mol. Its IUPAC name is 1-tert-butyl-4-(cyclopropylmethyl)piperazine;1-tert-butyl-N-(2-fluoropropyl)piperidin-3-amine;1-tert-butyl-4-(2-methoxyethyl)-2-methylpiperidine;1-tert-butyl-4-(2-methoxyethyl)piperazine;1-tert-butyl-4-methylpiperazine;bis(1-(4-tert-butylpiperazin-1-yl)ethanone);1-tert-butylpiperidine;1-tert-butylpiperidin-3-one;(1-tert-butylpiperidin-2-yl) formate;1-(1-tert-butylpiperidin-4-yl)oxypropan-2-one;1-tert-butyl-4-propylpiperazine;1-tert-butyl-N-propylpiperidin-3-amine;methane.

Molecular Properties

Compound Name1-tert-butyl-4-(cyclopropylmethyl)piperazine;1-tert-butyl-N-(2-fluoropropyl)piperidin-3-amine;1-tert-butyl-4-(2-methoxyethyl)-2-methylpiperidine;1-tert-butyl-4-(2-methoxyethyl)piperazine;1-tert-butyl-4-methylpiperazine;bis(1-(4-tert-butylpiperazin-1-yl)ethanone);1-tert-butylpiperidine;1-tert-butylpiperidin-3-one;(1-tert-butylpiperidin-2-yl) formate;1-(1-tert-butylpiperidin-4-yl)oxypropan-2-one;1-tert-butyl-4-propylpiperazine;1-tert-butyl-N-propylpiperidin-3-amine;methane
PubChem CID157465153
Molecular FormulaC144H304FN21O9
Molecular Weight2493.15 g/mol
Exact Mass2491.40
IUPAC Name1-tert-butyl-4-(cyclopropylmethyl)piperazine;1-tert-butyl-N-(2-fluoropropyl)piperidin-3-amine;1-tert-butyl-4-(2-methoxyethyl)-2-methylpiperidine;1-tert-butyl-4-(2-methoxyethyl)piperazine;1-tert-butyl-4-methylpiperazine;bis(1-(4-tert-butylpiperazin-1-yl)ethanone);1-tert-butylpiperidine;1-tert-butylpiperidin-3-one;(1-tert-butylpiperidin-2-yl) formate;1-(1-tert-butylpiperidin-4-yl)oxypropan-2-one;1-tert-butyl-4-propylpiperazine;1-tert-butyl-N-propylpiperidin-3-amine;methane
SMILESC.C.C.C.CC(=O)COC1CCN(C(C)(C)C)CC1.CC(=O)N1CCN(C(C)(C)C)CC1.CC(=O)N1CCN(C(C)(C)C)CC1.CC(C)(C)N1CCCC(=O)C1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1OC=O.CC(C)(C)N1CCN(CC2CC2)CC1.CC(F)CNC1CCCN(C(C)(C)C)C1.CCCN1CCN(C(C)(C)C)CC1.CCCNC1CCCN(C(C)(C)C)C1.CN1CCN(C(C)(C)C)CC1.COCCC1CCN(C(C)(C)C)C(C)C1.COCCN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C13H27NO.C12H25FN2.C12H24N2.C12H26N2.C12H23NO2.C11H24N2O.C11H24N2.2C10H20N2O.C10H19NO2.C9H20N2.C9H17NO.C9H19N.4CH4/c1-11-10-12(7-9-15-5)6-8-14(11)13(2,3)4;1-10(13)8-14-11-6-5-7-15(9-11)12(2,3)4;1-12(2,3)14-8-6-13(7-9-14)10-11-4-5-11;1-5-8-13-11-7-6-9-14(10-11)12(2,3)4;1-10(14)9-15-11-5-7-13(8-6-11)12(2,3)4;1-11(2,3)13-7-5-12(6-8-13)9-10-14-4;1-5-6-12-7-9-13(10-8-12)11(2,3)4;2*1-9(13)11-5-7-12(8-6-11)10(2,3)4;1-10(2,3)11-7-5-4-6-9(11)13-8-12;1-9(2,3)11-7-5-10(4)6-8-11;1-9(2,3)10-6-4-5-8(11)7-10;1-9(2,3)10-7-5-4-6-8-10;;;;/h11-12H,6-10H2,1-5H3;10-11,14H,5-9H2,1-4H3;11H,4-10H2,1-3H3;11,13H,5-10H2,1-4H3;11H,5-9H2,1-4H3;5-10H2,1-4H3;5-10H2,1-4H3;2*5-8H2,1-4H3;8-9H,4-7H2,1-3H3;5-8H2,1-4H3;4-7H2,1-3H3;4-8H2,1-3H3;4*1H4
InChIKeyBUJPUTYWTLNGRC-UHFFFAOYSA-N
XLogP24.86
TPSA207.89 Ų
H-Bond Donors2
H-Bond Acceptors28
Rotatable Bonds21
Heavy Atoms175
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002493.15
LogP ≤ 524.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 1-tert-butyl-4-(cyclopropylmethyl)piperazine;1-tert-butyl-N-(2-fluoropropyl)piperidin-3-amine;1-tert-butyl-4-(2-methoxyethyl)-2-methylpiperidine;1-tert-butyl-4-(2-methoxyethyl)piperazine;1-tert-butyl-4-methylpiperazine;bis(1-(4-tert-butylpiperazin-1-yl)ethanone);1-tert-butylpiperidine;1-tert-butylpiperidin-3-one;(1-tert-butylpiperidin-2-yl) formate;1-(1-tert-butylpiperidin-4-yl)oxypropan-2-one;1-tert-butyl-4-propylpiperazine;1-tert-butyl-N-propylpiperidin-3-amine;methane with MolForge

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Launch Full Analysis

Related Compounds

1-tert-butyl-4-(cyclopropylmethyl)piperazine;1-tert-butyl-2,4-dimethylpiperazine;1-tert-butyl-2,5-dimethylpiperidine;tris(1-tert-butyl-4-ethylpiperazine);1-tert-butyl-4-(2-methoxyethyl)piperazine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-2-methylpiperidine;2-(4-tert-butylpiperazin-1-yl)-N,N-dimethylacetamide;2-(4-tert-butylpiperazin-1-yl)ethanol;bis(1-(4-tert-butylpiperazin-1-yl)ethanone);1-(4-tert-butylpiperazin-1-yl)-2-methoxyethanone;2-(4-tert-butylpiperazin-1-yl)-N-methylacetamide;1-tert-butylpiperidine;1-tert-butylpiperidin-3-one;(1-tert-butylpiperidin-2-yl) formate;1,4-ditert-butylpiperazine;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate;methane
CID 159046213
1-tert-butyl-4-(cyclopropylmethyl)piperazine;1-tert-butyl-2,5-dimethylpiperidine;tris(1-tert-butyl-4-ethylpiperazine);1-tert-butyl-4-(2-methoxyethyl)piperazine;1-tert-butyl-4-methylpiperazine;2-(4-tert-butylpiperazin-1-yl)-N,N-dimethylacetamide;bis(1-(4-tert-butylpiperazin-1-yl)ethanone);2-(4-tert-butylpiperazin-1-yl)-N-methylacetamide;1-tert-butylpiperidine;1-tert-butylpiperidin-3-one;2-[(1-tert-butylpiperidin-3-yl)amino]ethanol;(1-tert-butylpiperidin-2-yl) formate;1-tert-butyl-4-propylpiperazine;1,4-ditert-butylpiperazine;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate
CID 160971133
1-tert-butyl-4-(cyclopropylmethyl)piperazine;1-tert-butyl-2,5-dimethylpiperidine;tris(1-tert-butyl-4-ethylpiperazine);1-tert-butyl-4-(2-methoxyethyl)piperazine;1-tert-butyl-4-methylpiperazine;1-(4-tert-butylpiperazin-1-yl)butan-2-one;2-(4-tert-butylpiperazin-1-yl)-N,N-dimethylacetamide;bis(1-(4-tert-butylpiperazin-1-yl)ethanone);1-tert-butylpiperidine;1-tert-butylpiperidin-3-one;(1-tert-butylpiperidin-2-yl) formate;1-tert-butyl-4-propylpiperazine;1,4-ditert-butylpiperazine;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate;methane
CID 161151351
1-tert-butyl-4-(cyclopropylmethyl)piperazine;1-tert-butyl-N-(2-fluoropropyl)piperidin-3-amine;1-tert-butyl-4-(2-methoxyethyl)-2-methylpiperidine;1-tert-butyl-4-(2-methoxyethyl)piperazine;1-tert-butyl-4-methylpiperazine;bis(1-(4-tert-butylpiperazin-1-yl)ethanone);1-tert-butylpiperidine;1-tert-butylpiperidin-3-one;2-[(1-tert-butylpiperidin-3-yl)amino]ethanol;(1-tert-butylpiperidin-2-yl) formate;1-(1-tert-butylpiperidin-4-yl)oxypropan-2-one;1-tert-butyl-4-propylpiperazine;1-tert-butyl-N-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
CID 161229290

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(cyclopropylmethyl)piperazine;1-tert-butyl-N-(2-fluoropropyl)piperidin-3-amine;1-tert-butyl-4-(2-methoxyethyl)-2-methylpiperidine;1-tert-butyl-4-(2-methoxyethyl)piperazine;1-tert-butyl-4-methylpiperazine;bis(1-(4-tert-butylpiperazin-1-yl)ethanone);1-tert-butylpiperidine;1-tert-butylpiperidin-3-one;(1-tert-butylpiperidin-2-yl) formate;1-(1-tert-butylpiperidin-4-yl)oxypropan-2-one;1-tert-butyl-4-propylpiperazine;1-tert-butyl-N-propylpiperidin-3-amine;methane?
The IUPAC name of 1-tert-butyl-4-(cyclopropylmethyl)piperazine;1-tert-butyl-N-(2-fluoropropyl)piperidin-3-amine;1-tert-butyl-4-(2-methoxyethyl)-2-methylpiperidine;1-tert-butyl-4-(2-methoxyethyl)piperazine;1-tert-butyl-4-methylpiperazine;bis(1-(4-tert-butylpiperazin-1-yl)ethanone);1-tert-butylpiperidine;1-tert-butylpiperidin-3-one;(1-tert-butylpiperidin-2-yl) formate;1-(1-tert-butylpiperidin-4-yl)oxypropan-2-one;1-tert-butyl-4-propylpiperazine;1-tert-butyl-N-propylpiperidin-3-amine;methane (CID 157465153) is 1-tert-butyl-4-(cyclopropylmethyl)piperazine;1-tert-butyl-N-(2-fluoropropyl)piperidin-3-amine;1-tert-butyl-4-(2-methoxyethyl)-2-methylpiperidine;1-tert-butyl-4-(2-methoxyethyl)piperazine;1-tert-butyl-4-methylpiperazine;bis(1-(4-tert-butylpiperazin-1-yl)ethanone);1-tert-butylpiperidine;1-tert-butylpiperidin-3-one;(1-tert-butylpiperidin-2-yl) formate;1-(1-tert-butylpiperidin-4-yl)oxypropan-2-one;1-tert-butyl-4-propylpiperazine;1-tert-butyl-N-propylpiperidin-3-amine;methane.
What is the SMILES notation for 1-tert-butyl-4-(cyclopropylmethyl)piperazine;1-tert-butyl-N-(2-fluoropropyl)piperidin-3-amine;1-tert-butyl-4-(2-methoxyethyl)-2-methylpiperidine;1-tert-butyl-4-(2-methoxyethyl)piperazine;1-tert-butyl-4-methylpiperazine;bis(1-(4-tert-butylpiperazin-1-yl)ethanone);1-tert-butylpiperidine;1-tert-butylpiperidin-3-one;(1-tert-butylpiperidin-2-yl) formate;1-(1-tert-butylpiperidin-4-yl)oxypropan-2-one;1-tert-butyl-4-propylpiperazine;1-tert-butyl-N-propylpiperidin-3-amine;methane?
The canonical SMILES for 1-tert-butyl-4-(cyclopropylmethyl)piperazine;1-tert-butyl-N-(2-fluoropropyl)piperidin-3-amine;1-tert-butyl-4-(2-methoxyethyl)-2-methylpiperidine;1-tert-butyl-4-(2-methoxyethyl)piperazine;1-tert-butyl-4-methylpiperazine;bis(1-(4-tert-butylpiperazin-1-yl)ethanone);1-tert-butylpiperidine;1-tert-butylpiperidin-3-one;(1-tert-butylpiperidin-2-yl) formate;1-(1-tert-butylpiperidin-4-yl)oxypropan-2-one;1-tert-butyl-4-propylpiperazine;1-tert-butyl-N-propylpiperidin-3-amine;methane is C.C.C.C.CC(=O)COC1CCN(C(C)(C)C)CC1.CC(=O)N1CCN(C(C)(C)C)CC1.CC(=O)N1CCN(C(C)(C)C)CC1.CC(C)(C)N1CCCC(=O)C1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1OC=O.CC(C)(C)N1CCN(CC2CC2)CC1.CC(F)CNC1CCCN(C(C)(C)C)C1.CCCN1CCN(C(C)(C)C)CC1.CCCNC1CCCN(C(C)(C)C)C1.CN1CCN(C(C)(C)C)CC1.COCCC1CCN(C(C)(C)C)C(C)C1.COCCN1CCN(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-4-(cyclopropylmethyl)piperazine;1-tert-butyl-N-(2-fluoropropyl)piperidin-3-amine;1-tert-butyl-4-(2-methoxyethyl)-2-methylpiperidine;1-tert-butyl-4-(2-methoxyethyl)piperazine;1-tert-butyl-4-methylpiperazine;bis(1-(4-tert-butylpiperazin-1-yl)ethanone);1-tert-butylpiperidine;1-tert-butylpiperidin-3-one;(1-tert-butylpiperidin-2-yl) formate;1-(1-tert-butylpiperidin-4-yl)oxypropan-2-one;1-tert-butyl-4-propylpiperazine;1-tert-butyl-N-propylpiperidin-3-amine;methane?
The InChIKey is BUJPUTYWTLNGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO.C12H25FN2.C12H24N2.C12H26N2.C12H23NO2.C11H24N2O.C11H24N2.2C10H20N2O.C10H19NO2.C9H20N2.C9H17NO.C9H19N.4CH4/c1-11-10-12(7-9-15-5)6-8-14(11)13(2,3)4;1-10(13)8-14-11-6-5-7-15(9-11)12(2,3)4;1-12(2,3)14-8-6-13(7-9-14)10-11-4-5-11;1-5-8-13-11-7-6-9-14(10-11)12(2,3)4;1-10(14)9-15-11-5-7-13(8-6-11)12(2,3)4;1-11(2,3)13-7-5-12(6-8-13)9-10-14-4;1-5-6-12-7-9-13(10-8-12)11(2,3)4;2*1-9(13)11-5-7-12(8-6-11)10(2,3)4;1-10(2,3)11-7-5-4-6-9(11)13-8-12;1-9(2,3)11-7-5-10(4)6-8-11;1-9(2,3)10-6-4-5-8(11)7-10;1-9(2,3)10-7-5-4-6-8-10;;;;/h11-12H,6-10H2,1-5H3;10-11,14H,5-9H2,1-4H3;11H,4-10H2,1-3H3;11,13H,5-10H2,1-4H3;11H,5-9H2,1-4H3;5-10H2,1-4H3;5-10H2,1-4H3;2*5-8H2,1-4H3;8-9H,4-7H2,1-3H3;5-8H2,1-4H3;4-7H2,1-3H3;4-8H2,1-3H3;4*1H4.
What are the key properties of 1-tert-butyl-4-(cyclopropylmethyl)piperazine;1-tert-butyl-N-(2-fluoropropyl)piperidin-3-amine;1-tert-butyl-4-(2-methoxyethyl)-2-methylpiperidine;1-tert-butyl-4-(2-methoxyethyl)piperazine;1-tert-butyl-4-methylpiperazine;bis(1-(4-tert-butylpiperazin-1-yl)ethanone);1-tert-butylpiperidine;1-tert-butylpiperidin-3-one;(1-tert-butylpiperidin-2-yl) formate;1-(1-tert-butylpiperidin-4-yl)oxypropan-2-one;1-tert-butyl-4-propylpiperazine;1-tert-butyl-N-propylpiperidin-3-amine;methane?
1-tert-butyl-4-(cyclopropylmethyl)piperazine;1-tert-butyl-N-(2-fluoropropyl)piperidin-3-amine;1-tert-butyl-4-(2-methoxyethyl)-2-methylpiperidine;1-tert-butyl-4-(2-methoxyethyl)piperazine;1-tert-butyl-4-methylpiperazine;bis(1-(4-tert-butylpiperazin-1-yl)ethanone);1-tert-butylpiperidine;1-tert-butylpiperidin-3-one;(1-tert-butylpiperidin-2-yl) formate;1-(1-tert-butylpiperidin-4-yl)oxypropan-2-one;1-tert-butyl-4-propylpiperazine;1-tert-butyl-N-propylpiperidin-3-amine;methane has a molecular weight of 2493.15 g/mol, XLogP of 24.86, 21 rotatable bonds, 2 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(cyclopropylmethyl)piperazine;1-tert-butyl-N-(2-fluoropropyl)piperidin-3-amine;1-tert-butyl-4-(2-methoxyethyl)-2-methylpiperidine;1-tert-butyl-4-(2-methoxyethyl)piperazine;1-tert-butyl-4-methylpiperazine;bis(1-(4-tert-butylpiperazin-1-yl)ethanone);1-tert-butylpiperidine;1-tert-butylpiperidin-3-one;(1-tert-butylpiperidin-2-yl) formate;1-(1-tert-butylpiperidin-4-yl)oxypropan-2-one;1-tert-butyl-4-propylpiperazine;1-tert-butyl-N-propylpiperidin-3-amine;methane is sourced from PubChem (CID 157465153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).