1-tert-butyl-4-methylpiperidine;tert-butyl 4-methylpiperidine-1-carboxylate;tert-butyl N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]carbamate;1-cyclopropyl-4-methylpiperidine;1-cyclopropylsulfonyl-4-methylpiperidine;1,4-dimethylpiperidine;bis(1-ethyl-4-methylpiperidine);ethyl 2-(4-methylpiperidin-1-yl)acetate;methylcyclohexane;2-(4-methylpiperidin-1-yl)acetamide;2-(4-methylpiperidin-1-yl)ethanol;1-(4-methylpiperidin-1-yl)ethanone;1-(4-methylpiperidin-1-yl)propan-1-one

C125H247N15O13S — CID 159784470

IUPAC1-tert-butyl-4-methylpiperidine;tert-butyl 4-methylpiperidine-1-carboxylate;tert-butyl N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]carbamate;1-cyclopropyl-4-methylpiperidine;1-cyclopropylsulfonyl-4-methylpiperidine;1,4-dimethylpiperidine;bis(1-ethyl-4-methylpiperidine);ethyl 2-(4-methylpiperidin-1-yl)acetate;methylcyclohexane;2-(4-methylpiperidin-1-yl)acetamide;2-(4-methylpiperidin-1-yl)ethanol;1-(4-methylpiperidin-1-yl)ethanone;1-(4-methylpiperidin-1-yl)propan-1-one
SMILESCC(=O)N1CCC(C)CC1.CC1CCCCC1.CC1CCN(C(=O)CNC(=O)OC(C)(C)C)CC1.CC1CCN(C(=O)OC(C)(C)C)CC1.CC1CCN(C(C)(C)C)CC1.CC1CCN(C)CC1.CC1CCN(C2CC2)CC1.CC1CCN(CC(N)=O)CC1.CC1CCN(CCO)CC1.CC1CCN(S(=O)(=O)C2CC2)CC1.CCC(=O)N1CCC(C)CC1.CCN1CCC(C)CC1.CCN1CCC(C)CC1.CCOC(=O)CN1CCC(C)CC1
InChIInChI=1S/C13H24N2O3.C11H21NO2.C10H19NO2.C10H21N.C9H17NO2S.C9H17NO.C9H17N.C8H16N2O.C8H15NO.C8H17NO.2C8H17N.C7H15N.C7H14/c1-10-5-7-15(8-6-10)11(16)9-14-12(17)18-13(2,3)4;1-9-5-7-12(8-6-9)10(13)14-11(2,3)4;1-3-13-10(12)8-11-6-4-9(2)5-7-11;1-9-5-7-11(8-6-9)10(2,3)4;1-8-4-6-10(7-5-8)13(11,12)9-2-3-9;1-3-9(11)10-6-4-8(2)5-7-10;1-8-4-6-10(7-5-8)9-2-3-9;1-7-2-4-10(5-3-7)6-8(9)11;1-7-3-5-9(6-4-7)8(2)10;1-8-2-4-9(5-3-8)6-7-10;2*1-3-9-6-4-8(2)5-7-9;1-7-3-5-8(2)6-4-7;1-7-5-3-2-4-6-7/h10H,5-9H2,1-4H3,(H,14,17);9H,5-8H2,1-4H3;9H,3-8H2,1-2H3;9H,5-8H2,1-4H3;8-9H,2-7H2,1H3;8H,3-7H2,1-2H3;8-9H,2-7H2,1H3;7H,2-6H2,1H3,(H2,9,11);7H,3-6H2,1-2H3;8,10H,2-7H2,1H3;2*8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;7H,2-6H2,1H3
InChIKeyNHTWIHAHSZIKTC-UHFFFAOYSA-N
MW2200.51 g/mol
LogP22.56
Rot. Bonds15

About 1-tert-butyl-4-methylpiperidine;tert-butyl 4-methylpiperidine-1-carboxylate;tert-butyl N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]carbamate;1-cyclopropyl-4-methylpiperidine;1-cyclopropylsulfonyl-4-methylpiperidine;1,4-dimethylpiperidine;bis(1-ethyl-4-methylpiperidine);ethyl 2-(4-methylpiperidin-1-yl)acetate;methylcyclohexane;2-(4-methylpiperidin-1-yl)acetamide;2-(4-methylpiperidin-1-yl)ethanol;1-(4-methylpiperidin-1-yl)ethanone;1-(4-methylpiperidin-1-yl)propan-1-one

1-tert-butyl-4-methylpiperidine;tert-butyl 4-methylpiperidine-1-carboxylate;tert-butyl N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]carbamate;1-cyclopropyl-4-methylpiperidine;1-cyclopropylsulfonyl-4-methylpiperidine;1,4-dimethylpiperidine;bis(1-ethyl-4-methylpiperidine);ethyl 2-(4-methylpiperidin-1-yl)acetate;methylcyclohexane;2-(4-methylpiperidin-1-yl)acetamide;2-(4-methylpiperidin-1-yl)ethanol;1-(4-methylpiperidin-1-yl)ethanone;1-(4-methylpiperidin-1-yl)propan-1-one (PubChem CID 159784470) has the molecular formula C125H247N15O13S and a molecular weight of 2200.51 g/mol. Its IUPAC name is 1-tert-butyl-4-methylpiperidine;tert-butyl 4-methylpiperidine-1-carboxylate;tert-butyl N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]carbamate;1-cyclopropyl-4-methylpiperidine;1-cyclopropylsulfonyl-4-methylpiperidine;1,4-dimethylpiperidine;bis(1-ethyl-4-methylpiperidine);ethyl 2-(4-methylpiperidin-1-yl)acetate;methylcyclohexane;2-(4-methylpiperidin-1-yl)acetamide;2-(4-methylpiperidin-1-yl)ethanol;1-(4-methylpiperidin-1-yl)ethanone;1-(4-methylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-tert-butyl-4-methylpiperidine;tert-butyl 4-methylpiperidine-1-carboxylate;tert-butyl N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]carbamate;1-cyclopropyl-4-methylpiperidine;1-cyclopropylsulfonyl-4-methylpiperidine;1,4-dimethylpiperidine;bis(1-ethyl-4-methylpiperidine);ethyl 2-(4-methylpiperidin-1-yl)acetate;methylcyclohexane;2-(4-methylpiperidin-1-yl)acetamide;2-(4-methylpiperidin-1-yl)ethanol;1-(4-methylpiperidin-1-yl)ethanone;1-(4-methylpiperidin-1-yl)propan-1-one
PubChem CID159784470
Molecular FormulaC125H247N15O13S
Molecular Weight2200.51 g/mol
Exact Mass2198.88
IUPAC Name1-tert-butyl-4-methylpiperidine;tert-butyl 4-methylpiperidine-1-carboxylate;tert-butyl N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]carbamate;1-cyclopropyl-4-methylpiperidine;1-cyclopropylsulfonyl-4-methylpiperidine;1,4-dimethylpiperidine;bis(1-ethyl-4-methylpiperidine);ethyl 2-(4-methylpiperidin-1-yl)acetate;methylcyclohexane;2-(4-methylpiperidin-1-yl)acetamide;2-(4-methylpiperidin-1-yl)ethanol;1-(4-methylpiperidin-1-yl)ethanone;1-(4-methylpiperidin-1-yl)propan-1-one
SMILESCC(=O)N1CCC(C)CC1.CC1CCCCC1.CC1CCN(C(=O)CNC(=O)OC(C)(C)C)CC1.CC1CCN(C(=O)OC(C)(C)C)CC1.CC1CCN(C(C)(C)C)CC1.CC1CCN(C)CC1.CC1CCN(C2CC2)CC1.CC1CCN(CC(N)=O)CC1.CC1CCN(CCO)CC1.CC1CCN(S(=O)(=O)C2CC2)CC1.CCC(=O)N1CCC(C)CC1.CCN1CCC(C)CC1.CCN1CCC(C)CC1.CCOC(=O)CN1CCC(C)CC1
InChIInChI=1S/C13H24N2O3.C11H21NO2.C10H19NO2.C10H21N.C9H17NO2S.C9H17NO.C9H17N.C8H16N2O.C8H15NO.C8H17NO.2C8H17N.C7H15N.C7H14/c1-10-5-7-15(8-6-10)11(16)9-14-12(17)18-13(2,3)4;1-9-5-7-12(8-6-9)10(13)14-11(2,3)4;1-3-13-10(12)8-11-6-4-9(2)5-7-11;1-9-5-7-11(8-6-9)10(2,3)4;1-8-4-6-10(7-5-8)13(11,12)9-2-3-9;1-3-9(11)10-6-4-8(2)5-7-10;1-8-4-6-10(7-5-8)9-2-3-9;1-7-2-4-10(5-3-7)6-8(9)11;1-7-3-5-9(6-4-7)8(2)10;1-8-2-4-9(5-3-8)6-7-10;2*1-3-9-6-4-8(2)5-7-9;1-7-3-5-8(2)6-4-7;1-7-5-3-2-4-6-7/h10H,5-9H2,1-4H3,(H,14,17);9H,5-8H2,1-4H3;9H,3-8H2,1-2H3;9H,5-8H2,1-4H3;8-9H,2-7H2,1H3;8H,3-7H2,1-2H3;8-9H,2-7H2,1H3;7H,2-6H2,1H3,(H2,9,11);7H,3-6H2,1-2H3;8,10H,2-7H2,1H3;2*8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;7H,2-6H2,1H3
InChIKeyNHTWIHAHSZIKTC-UHFFFAOYSA-N
XLogP22.56
TPSA281.72 Ų
H-Bond Donors3
H-Bond Acceptors21
Rotatable Bonds15
Heavy Atoms154
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002200.51
LogP ≤ 522.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze 1-tert-butyl-4-methylpiperidine;tert-butyl 4-methylpiperidine-1-carboxylate;tert-butyl N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]carbamate;1-cyclopropyl-4-methylpiperidine;1-cyclopropylsulfonyl-4-methylpiperidine;1,4-dimethylpiperidine;bis(1-ethyl-4-methylpiperidine);ethyl 2-(4-methylpiperidin-1-yl)acetate;methylcyclohexane;2-(4-methylpiperidin-1-yl)acetamide;2-(4-methylpiperidin-1-yl)ethanol;1-(4-methylpiperidin-1-yl)ethanone;1-(4-methylpiperidin-1-yl)propan-1-one with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 4-(4-piperidin-1-ylpiperidin-1-yl)sulfonylpiperidine-1-carboxylate
CID 167801897
ethyl 2-[4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]piperidin-1-yl]acetate
CID 126619796
tert-butyl 4-[2-[4-(2-ethoxy-2-oxoethyl)piperazin-1-yl]ethyl]piperidine-1-carboxylate
CID 20641747
tert-butyl N-[3-(4-methylazepan-1-yl)propyl]carbamate
CID 143014602
tert-butyl N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]carbamate;propane
CID 142306619
tert-butyl 4-[4-[2-[1-(2-methoxy-2-oxoethyl)piperidin-4-yl]oxyacetyl]piperazin-1-yl]piperidine-1-carboxylate
CID 139782752
tert-butyl 4-pyrrolidin-1-ylsulfonylpiperidine-1-carboxylate
CID 59560785
ethyl 2-(4-cyclohexylpiperidin-1-yl)acetate
CID 142887081
tert-butyl N-[2-[4-[[(2-cyclohexylacetyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]carbamate
CID 108916630
tert-butyl N-(2-oxo-2-pyrrolidin-1-ylethyl)carbamate;propane
CID 162388275
tert-butyl 4-[(1-ethylpiperidin-4-yl)amino]azepane-1-carboxylate
CID 103981745
tert-butyl N-[2-[4-[(2-cyclohexylacetyl)amino]piperidin-1-yl]-2-oxoethyl]carbamate
CID 108916814

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-methylpiperidine;tert-butyl 4-methylpiperidine-1-carboxylate;tert-butyl N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]carbamate;1-cyclopropyl-4-methylpiperidine;1-cyclopropylsulfonyl-4-methylpiperidine;1,4-dimethylpiperidine;bis(1-ethyl-4-methylpiperidine);ethyl 2-(4-methylpiperidin-1-yl)acetate;methylcyclohexane;2-(4-methylpiperidin-1-yl)acetamide;2-(4-methylpiperidin-1-yl)ethanol;1-(4-methylpiperidin-1-yl)ethanone;1-(4-methylpiperidin-1-yl)propan-1-one?
The IUPAC name of 1-tert-butyl-4-methylpiperidine;tert-butyl 4-methylpiperidine-1-carboxylate;tert-butyl N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]carbamate;1-cyclopropyl-4-methylpiperidine;1-cyclopropylsulfonyl-4-methylpiperidine;1,4-dimethylpiperidine;bis(1-ethyl-4-methylpiperidine);ethyl 2-(4-methylpiperidin-1-yl)acetate;methylcyclohexane;2-(4-methylpiperidin-1-yl)acetamide;2-(4-methylpiperidin-1-yl)ethanol;1-(4-methylpiperidin-1-yl)ethanone;1-(4-methylpiperidin-1-yl)propan-1-one (CID 159784470) is 1-tert-butyl-4-methylpiperidine;tert-butyl 4-methylpiperidine-1-carboxylate;tert-butyl N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]carbamate;1-cyclopropyl-4-methylpiperidine;1-cyclopropylsulfonyl-4-methylpiperidine;1,4-dimethylpiperidine;bis(1-ethyl-4-methylpiperidine);ethyl 2-(4-methylpiperidin-1-yl)acetate;methylcyclohexane;2-(4-methylpiperidin-1-yl)acetamide;2-(4-methylpiperidin-1-yl)ethanol;1-(4-methylpiperidin-1-yl)ethanone;1-(4-methylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 1-tert-butyl-4-methylpiperidine;tert-butyl 4-methylpiperidine-1-carboxylate;tert-butyl N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]carbamate;1-cyclopropyl-4-methylpiperidine;1-cyclopropylsulfonyl-4-methylpiperidine;1,4-dimethylpiperidine;bis(1-ethyl-4-methylpiperidine);ethyl 2-(4-methylpiperidin-1-yl)acetate;methylcyclohexane;2-(4-methylpiperidin-1-yl)acetamide;2-(4-methylpiperidin-1-yl)ethanol;1-(4-methylpiperidin-1-yl)ethanone;1-(4-methylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 1-tert-butyl-4-methylpiperidine;tert-butyl 4-methylpiperidine-1-carboxylate;tert-butyl N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]carbamate;1-cyclopropyl-4-methylpiperidine;1-cyclopropylsulfonyl-4-methylpiperidine;1,4-dimethylpiperidine;bis(1-ethyl-4-methylpiperidine);ethyl 2-(4-methylpiperidin-1-yl)acetate;methylcyclohexane;2-(4-methylpiperidin-1-yl)acetamide;2-(4-methylpiperidin-1-yl)ethanol;1-(4-methylpiperidin-1-yl)ethanone;1-(4-methylpiperidin-1-yl)propan-1-one is CC(=O)N1CCC(C)CC1.CC1CCCCC1.CC1CCN(C(=O)CNC(=O)OC(C)(C)C)CC1.CC1CCN(C(=O)OC(C)(C)C)CC1.CC1CCN(C(C)(C)C)CC1.CC1CCN(C)CC1.CC1CCN(C2CC2)CC1.CC1CCN(CC(N)=O)CC1.CC1CCN(CCO)CC1.CC1CCN(S(=O)(=O)C2CC2)CC1.CCC(=O)N1CCC(C)CC1.CCN1CCC(C)CC1.CCN1CCC(C)CC1.CCOC(=O)CN1CCC(C)CC1.
What is the InChIKey of 1-tert-butyl-4-methylpiperidine;tert-butyl 4-methylpiperidine-1-carboxylate;tert-butyl N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]carbamate;1-cyclopropyl-4-methylpiperidine;1-cyclopropylsulfonyl-4-methylpiperidine;1,4-dimethylpiperidine;bis(1-ethyl-4-methylpiperidine);ethyl 2-(4-methylpiperidin-1-yl)acetate;methylcyclohexane;2-(4-methylpiperidin-1-yl)acetamide;2-(4-methylpiperidin-1-yl)ethanol;1-(4-methylpiperidin-1-yl)ethanone;1-(4-methylpiperidin-1-yl)propan-1-one?
The InChIKey is NHTWIHAHSZIKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3.C11H21NO2.C10H19NO2.C10H21N.C9H17NO2S.C9H17NO.C9H17N.C8H16N2O.C8H15NO.C8H17NO.2C8H17N.C7H15N.C7H14/c1-10-5-7-15(8-6-10)11(16)9-14-12(17)18-13(2,3)4;1-9-5-7-12(8-6-9)10(13)14-11(2,3)4;1-3-13-10(12)8-11-6-4-9(2)5-7-11;1-9-5-7-11(8-6-9)10(2,3)4;1-8-4-6-10(7-5-8)13(11,12)9-2-3-9;1-3-9(11)10-6-4-8(2)5-7-10;1-8-4-6-10(7-5-8)9-2-3-9;1-7-2-4-10(5-3-7)6-8(9)11;1-7-3-5-9(6-4-7)8(2)10;1-8-2-4-9(5-3-8)6-7-10;2*1-3-9-6-4-8(2)5-7-9;1-7-3-5-8(2)6-4-7;1-7-5-3-2-4-6-7/h10H,5-9H2,1-4H3,(H,14,17);9H,5-8H2,1-4H3;9H,3-8H2,1-2H3;9H,5-8H2,1-4H3;8-9H,2-7H2,1H3;8H,3-7H2,1-2H3;8-9H,2-7H2,1H3;7H,2-6H2,1H3,(H2,9,11);7H,3-6H2,1-2H3;8,10H,2-7H2,1H3;2*8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;7H,2-6H2,1H3.
What are the key properties of 1-tert-butyl-4-methylpiperidine;tert-butyl 4-methylpiperidine-1-carboxylate;tert-butyl N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]carbamate;1-cyclopropyl-4-methylpiperidine;1-cyclopropylsulfonyl-4-methylpiperidine;1,4-dimethylpiperidine;bis(1-ethyl-4-methylpiperidine);ethyl 2-(4-methylpiperidin-1-yl)acetate;methylcyclohexane;2-(4-methylpiperidin-1-yl)acetamide;2-(4-methylpiperidin-1-yl)ethanol;1-(4-methylpiperidin-1-yl)ethanone;1-(4-methylpiperidin-1-yl)propan-1-one?
1-tert-butyl-4-methylpiperidine;tert-butyl 4-methylpiperidine-1-carboxylate;tert-butyl N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]carbamate;1-cyclopropyl-4-methylpiperidine;1-cyclopropylsulfonyl-4-methylpiperidine;1,4-dimethylpiperidine;bis(1-ethyl-4-methylpiperidine);ethyl 2-(4-methylpiperidin-1-yl)acetate;methylcyclohexane;2-(4-methylpiperidin-1-yl)acetamide;2-(4-methylpiperidin-1-yl)ethanol;1-(4-methylpiperidin-1-yl)ethanone;1-(4-methylpiperidin-1-yl)propan-1-one has a molecular weight of 2200.51 g/mol, XLogP of 22.56, 15 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-methylpiperidine;tert-butyl 4-methylpiperidine-1-carboxylate;tert-butyl N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]carbamate;1-cyclopropyl-4-methylpiperidine;1-cyclopropylsulfonyl-4-methylpiperidine;1,4-dimethylpiperidine;bis(1-ethyl-4-methylpiperidine);ethyl 2-(4-methylpiperidin-1-yl)acetate;methylcyclohexane;2-(4-methylpiperidin-1-yl)acetamide;2-(4-methylpiperidin-1-yl)ethanol;1-(4-methylpiperidin-1-yl)ethanone;1-(4-methylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 159784470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).