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

C153H313FN24O13S — CID 161229290

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;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
SMILESCC(=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)N1CCC(C(=O)NS(=O)(=O)N2CCCC2)CC1.CC(C)(C)N1CCCC(=O)C1.CC(C)(C)N1CCCC(NCCO)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.CN1CCN(C(C)(C)C)CC1.COCCC1CCN(C(C)(C)C)C(C)C1.COCCN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C14H27N3O3S.C13H27NO.C12H25FN2.C12H24N2.C12H23NO2.2C11H24N2O.C11H24N2.2C10H20N2O.C10H19NO2.C9H20N2.C9H17NO.C9H19N/c1-14(2,3)16-10-6-12(7-11-16)13(18)15-21(19,20)17-8-4-5-9-17;1-11-10-12(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;1-10(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;1-11(2,3)13-7-4-5-10(9-13)12-6-8-14;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/h12H,4-11H2,1-3H3,(H,15,18);11-12H,6-10H2,1-5H3;10-11,14H,5-9H2,1-4H3;11H,4-10H2,1-3H3;11H,5-9H2,1-4H3;5-10H2,1-4H3;10,12,14H,4-9H2,1-3H3;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
InChIKeyUYNPYSFHQVWLBP-UHFFFAOYSA-N
MW2748.41 g/mol
LogP21.85
Rot. Bonds24

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;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

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 (PubChem CID 161229290) has the molecular formula C153H313FN24O13S and a molecular weight of 2748.41 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;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.

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;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
PubChem CID161229290
Molecular FormulaC153H313FN24O13S
Molecular Weight2748.41 g/mol
Exact Mass2746.43
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;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
SMILESCC(=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)N1CCC(C(=O)NS(=O)(=O)N2CCCC2)CC1.CC(C)(C)N1CCCC(=O)C1.CC(C)(C)N1CCCC(NCCO)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.CN1CCN(C(C)(C)C)CC1.COCCC1CCN(C(C)(C)C)C(C)C1.COCCN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C14H27N3O3S.C13H27NO.C12H25FN2.C12H24N2.C12H23NO2.2C11H24N2O.C11H24N2.2C10H20N2O.C10H19NO2.C9H20N2.C9H17NO.C9H19N/c1-14(2,3)16-10-6-12(7-11-16)13(18)15-21(19,20)17-8-4-5-9-17;1-11-10-12(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;1-10(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;1-11(2,3)13-7-4-5-10(9-13)12-6-8-14;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/h12H,4-11H2,1-3H3,(H,15,18);11-12H,6-10H2,1-5H3;10-11,14H,5-9H2,1-4H3;11H,4-10H2,1-3H3;11H,5-9H2,1-4H3;5-10H2,1-4H3;10,12,14H,4-9H2,1-3H3;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
InChIKeyUYNPYSFHQVWLBP-UHFFFAOYSA-N
XLogP21.85
TPSA297.84 Ų
H-Bond Donors4
H-Bond Acceptors33
Rotatable Bonds24
Heavy Atoms192
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002748.41
LogP ≤ 521.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1033

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;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 with MolForge

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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;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?
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;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) 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;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.
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;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?
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;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 is 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)N1CCC(C(=O)NS(=O)(=O)N2CCCC2)CC1.CC(C)(C)N1CCCC(=O)C1.CC(C)(C)N1CCCC(NCCO)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.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;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?
The InChIKey is UYNPYSFHQVWLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3S.C13H27NO.C12H25FN2.C12H24N2.C12H23NO2.2C11H24N2O.C11H24N2.2C10H20N2O.C10H19NO2.C9H20N2.C9H17NO.C9H19N/c1-14(2,3)16-10-6-12(7-11-16)13(18)15-21(19,20)17-8-4-5-9-17;1-11-10-12(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;1-10(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;1-11(2,3)13-7-4-5-10(9-13)12-6-8-14;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/h12H,4-11H2,1-3H3,(H,15,18);11-12H,6-10H2,1-5H3;10-11,14H,5-9H2,1-4H3;11H,4-10H2,1-3H3;11H,5-9H2,1-4H3;5-10H2,1-4H3;10,12,14H,4-9H2,1-3H3;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.
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;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?
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 has a molecular weight of 2748.41 g/mol, XLogP of 21.85, 24 rotatable bonds, 4 hydrogen bond donors, and 33 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;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 is sourced from PubChem (CID 161229290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).