1-(cyclohexylmethyl)-4-(1,1-difluoro-3,3-dimethylbutyl)piperidine;1-(cyclohexylmethyl)-4-(3,3-dimethylbutyl)piperidine;N-(3,3-dimethylbutyl)-N,3,3-trimethylbutan-1-amine;N-(4,4-dimethylpentyl)-N,4,4-trimethylpentan-1-amine;N,3,3-trimethyl-N-(2-piperidin-1-ylethyl)butan-1-amine;N,3,3-trimethyl-N-(3-piperidin-1-ylpropyl)butan-1-amine;N,4,4-trimethyl-N-(3-piperidin-1-ylpropyl)pentan-1-amine

C109H226F2N10 — CID 157314956

IUPAC1-(cyclohexylmethyl)-4-(1,1-difluoro-3,3-dimethylbutyl)piperidine;1-(cyclohexylmethyl)-4-(3,3-dimethylbutyl)piperidine;N-(3,3-dimethylbutyl)-N,3,3-trimethylbutan-1-amine;N-(4,4-dimethylpentyl)-N,4,4-trimethylpentan-1-amine;N,3,3-trimethyl-N-(2-piperidin-1-ylethyl)butan-1-amine;N,3,3-trimethyl-N-(3-piperidin-1-ylpropyl)butan-1-amine;N,4,4-trimethyl-N-(3-piperidin-1-ylpropyl)pentan-1-amine
SMILESCC(C)(C)CC(F)(F)C1CCN(CC2CCCCC2)CC1.CC(C)(C)CCC1CCN(CC2CCCCC2)CC1.CN(CCC(C)(C)C)CCC(C)(C)C.CN(CCCC(C)(C)C)CCCC(C)(C)C.CN(CCCN1CCCCC1)CCC(C)(C)C.CN(CCCN1CCCCC1)CCCC(C)(C)C.CN(CCN1CCCCC1)CCC(C)(C)C
InChIInChI=1S/C18H33F2N.C18H35N.C16H34N2.C15H32N2.C15H33N.C14H30N2.C13H29N/c1-17(2,3)14-18(19,20)16-9-11-21(12-10-16)13-15-7-5-4-6-8-15;1-18(2,3)12-9-16-10-13-19(14-11-16)15-17-7-5-4-6-8-17;1-16(2,3)10-8-11-17(4)12-9-15-18-13-6-5-7-14-18;1-15(2,3)9-14-16(4)10-8-13-17-11-6-5-7-12-17;1-14(2,3)10-8-12-16(7)13-9-11-15(4,5)6;1-14(2,3)8-11-15(4)12-13-16-9-6-5-7-10-16;1-12(2,3)8-10-14(7)11-9-13(4,5)6/h15-16H,4-14H2,1-3H3;16-17H,4-15H2,1-3H3;5-15H2,1-4H3;5-14H2,1-4H3;8-13H2,1-7H3;5-13H2,1-4H3;8-11H2,1-7H3
InChIKeyBDMFDRBELUVOCJ-UHFFFAOYSA-N
MW1715.07 g/mol
LogP28.51
Rot. Bonds36

About 1-(cyclohexylmethyl)-4-(1,1-difluoro-3,3-dimethylbutyl)piperidine;1-(cyclohexylmethyl)-4-(3,3-dimethylbutyl)piperidine;N-(3,3-dimethylbutyl)-N,3,3-trimethylbutan-1-amine;N-(4,4-dimethylpentyl)-N,4,4-trimethylpentan-1-amine;N,3,3-trimethyl-N-(2-piperidin-1-ylethyl)butan-1-amine;N,3,3-trimethyl-N-(3-piperidin-1-ylpropyl)butan-1-amine;N,4,4-trimethyl-N-(3-piperidin-1-ylpropyl)pentan-1-amine

1-(cyclohexylmethyl)-4-(1,1-difluoro-3,3-dimethylbutyl)piperidine;1-(cyclohexylmethyl)-4-(3,3-dimethylbutyl)piperidine;N-(3,3-dimethylbutyl)-N,3,3-trimethylbutan-1-amine;N-(4,4-dimethylpentyl)-N,4,4-trimethylpentan-1-amine;N,3,3-trimethyl-N-(2-piperidin-1-ylethyl)butan-1-amine;N,3,3-trimethyl-N-(3-piperidin-1-ylpropyl)butan-1-amine;N,4,4-trimethyl-N-(3-piperidin-1-ylpropyl)pentan-1-amine (PubChem CID 157314956) has the molecular formula C109H226F2N10 and a molecular weight of 1715.07 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-4-(1,1-difluoro-3,3-dimethylbutyl)piperidine;1-(cyclohexylmethyl)-4-(3,3-dimethylbutyl)piperidine;N-(3,3-dimethylbutyl)-N,3,3-trimethylbutan-1-amine;N-(4,4-dimethylpentyl)-N,4,4-trimethylpentan-1-amine;N,3,3-trimethyl-N-(2-piperidin-1-ylethyl)butan-1-amine;N,3,3-trimethyl-N-(3-piperidin-1-ylpropyl)butan-1-amine;N,4,4-trimethyl-N-(3-piperidin-1-ylpropyl)pentan-1-amine.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-4-(1,1-difluoro-3,3-dimethylbutyl)piperidine;1-(cyclohexylmethyl)-4-(3,3-dimethylbutyl)piperidine;N-(3,3-dimethylbutyl)-N,3,3-trimethylbutan-1-amine;N-(4,4-dimethylpentyl)-N,4,4-trimethylpentan-1-amine;N,3,3-trimethyl-N-(2-piperidin-1-ylethyl)butan-1-amine;N,3,3-trimethyl-N-(3-piperidin-1-ylpropyl)butan-1-amine;N,4,4-trimethyl-N-(3-piperidin-1-ylpropyl)pentan-1-amine
PubChem CID157314956
Molecular FormulaC109H226F2N10
Molecular Weight1715.07 g/mol
Exact Mass1713.80
IUPAC Name1-(cyclohexylmethyl)-4-(1,1-difluoro-3,3-dimethylbutyl)piperidine;1-(cyclohexylmethyl)-4-(3,3-dimethylbutyl)piperidine;N-(3,3-dimethylbutyl)-N,3,3-trimethylbutan-1-amine;N-(4,4-dimethylpentyl)-N,4,4-trimethylpentan-1-amine;N,3,3-trimethyl-N-(2-piperidin-1-ylethyl)butan-1-amine;N,3,3-trimethyl-N-(3-piperidin-1-ylpropyl)butan-1-amine;N,4,4-trimethyl-N-(3-piperidin-1-ylpropyl)pentan-1-amine
SMILESCC(C)(C)CC(F)(F)C1CCN(CC2CCCCC2)CC1.CC(C)(C)CCC1CCN(CC2CCCCC2)CC1.CN(CCC(C)(C)C)CCC(C)(C)C.CN(CCCC(C)(C)C)CCCC(C)(C)C.CN(CCCN1CCCCC1)CCC(C)(C)C.CN(CCCN1CCCCC1)CCCC(C)(C)C.CN(CCN1CCCCC1)CCC(C)(C)C
InChIInChI=1S/C18H33F2N.C18H35N.C16H34N2.C15H32N2.C15H33N.C14H30N2.C13H29N/c1-17(2,3)14-18(19,20)16-9-11-21(12-10-16)13-15-7-5-4-6-8-15;1-18(2,3)12-9-16-10-13-19(14-11-16)15-17-7-5-4-6-8-17;1-16(2,3)10-8-11-17(4)12-9-15-18-13-6-5-7-14-18;1-15(2,3)9-14-16(4)10-8-13-17-11-6-5-7-12-17;1-14(2,3)10-8-12-16(7)13-9-11-15(4,5)6;1-14(2,3)8-11-15(4)12-13-16-9-6-5-7-10-16;1-12(2,3)8-10-14(7)11-9-13(4,5)6/h15-16H,4-14H2,1-3H3;16-17H,4-15H2,1-3H3;5-15H2,1-4H3;5-14H2,1-4H3;8-13H2,1-7H3;5-13H2,1-4H3;8-11H2,1-7H3
InChIKeyBDMFDRBELUVOCJ-UHFFFAOYSA-N
XLogP28.51
TPSA32.40 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds36
Heavy Atoms121
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001715.07
LogP ≤ 528.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 1-(cyclohexylmethyl)-4-(1,1-difluoro-3,3-dimethylbutyl)piperidine;1-(cyclohexylmethyl)-4-(3,3-dimethylbutyl)piperidine;N-(3,3-dimethylbutyl)-N,3,3-trimethylbutan-1-amine;N-(4,4-dimethylpentyl)-N,4,4-trimethylpentan-1-amine;N,3,3-trimethyl-N-(2-piperidin-1-ylethyl)butan-1-amine;N,3,3-trimethyl-N-(3-piperidin-1-ylpropyl)butan-1-amine;N,4,4-trimethyl-N-(3-piperidin-1-ylpropyl)pentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,4-Difluoro-1-methylpiperidine;1,4-dimethylpiperazine;methane;methylcyclohexane;bis(1-methylpiperidine)
CID 158438877
4,4-Difluoro-1-methylpiperidine;1,4-dimethylpiperazine;methylcyclohexane;bis(1-methylpiperidine)
CID 160510839
Bis(2,2-difluoro-1,4-di(propan-2-yl)piperidine);bis(3,3-difluoro-1,4-di(propan-2-yl)piperidine);1,4-di(propan-2-yl)piperazine;1,2-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)piperidine;bis(1,4-di(propan-2-yl)piperidine)
CID 164947690
1-tert-butyl-2-[(5S)-1-tert-butyl-5-[(4-tert-butylpiperazin-1-yl)methyl]piperidin-3-yl]-4-[[(3R)-1-tert-butyl-5-[2-[(3R)-3-[(4-tert-butylpiperidin-1-yl)methyl]piperidin-1-yl]-2-methylpropyl]piperidin-3-yl]methyl]piperazine
CID 170391846

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-4-(1,1-difluoro-3,3-dimethylbutyl)piperidine;1-(cyclohexylmethyl)-4-(3,3-dimethylbutyl)piperidine;N-(3,3-dimethylbutyl)-N,3,3-trimethylbutan-1-amine;N-(4,4-dimethylpentyl)-N,4,4-trimethylpentan-1-amine;N,3,3-trimethyl-N-(2-piperidin-1-ylethyl)butan-1-amine;N,3,3-trimethyl-N-(3-piperidin-1-ylpropyl)butan-1-amine;N,4,4-trimethyl-N-(3-piperidin-1-ylpropyl)pentan-1-amine?
The IUPAC name of 1-(cyclohexylmethyl)-4-(1,1-difluoro-3,3-dimethylbutyl)piperidine;1-(cyclohexylmethyl)-4-(3,3-dimethylbutyl)piperidine;N-(3,3-dimethylbutyl)-N,3,3-trimethylbutan-1-amine;N-(4,4-dimethylpentyl)-N,4,4-trimethylpentan-1-amine;N,3,3-trimethyl-N-(2-piperidin-1-ylethyl)butan-1-amine;N,3,3-trimethyl-N-(3-piperidin-1-ylpropyl)butan-1-amine;N,4,4-trimethyl-N-(3-piperidin-1-ylpropyl)pentan-1-amine (CID 157314956) is 1-(cyclohexylmethyl)-4-(1,1-difluoro-3,3-dimethylbutyl)piperidine;1-(cyclohexylmethyl)-4-(3,3-dimethylbutyl)piperidine;N-(3,3-dimethylbutyl)-N,3,3-trimethylbutan-1-amine;N-(4,4-dimethylpentyl)-N,4,4-trimethylpentan-1-amine;N,3,3-trimethyl-N-(2-piperidin-1-ylethyl)butan-1-amine;N,3,3-trimethyl-N-(3-piperidin-1-ylpropyl)butan-1-amine;N,4,4-trimethyl-N-(3-piperidin-1-ylpropyl)pentan-1-amine.
What is the SMILES notation for 1-(cyclohexylmethyl)-4-(1,1-difluoro-3,3-dimethylbutyl)piperidine;1-(cyclohexylmethyl)-4-(3,3-dimethylbutyl)piperidine;N-(3,3-dimethylbutyl)-N,3,3-trimethylbutan-1-amine;N-(4,4-dimethylpentyl)-N,4,4-trimethylpentan-1-amine;N,3,3-trimethyl-N-(2-piperidin-1-ylethyl)butan-1-amine;N,3,3-trimethyl-N-(3-piperidin-1-ylpropyl)butan-1-amine;N,4,4-trimethyl-N-(3-piperidin-1-ylpropyl)pentan-1-amine?
The canonical SMILES for 1-(cyclohexylmethyl)-4-(1,1-difluoro-3,3-dimethylbutyl)piperidine;1-(cyclohexylmethyl)-4-(3,3-dimethylbutyl)piperidine;N-(3,3-dimethylbutyl)-N,3,3-trimethylbutan-1-amine;N-(4,4-dimethylpentyl)-N,4,4-trimethylpentan-1-amine;N,3,3-trimethyl-N-(2-piperidin-1-ylethyl)butan-1-amine;N,3,3-trimethyl-N-(3-piperidin-1-ylpropyl)butan-1-amine;N,4,4-trimethyl-N-(3-piperidin-1-ylpropyl)pentan-1-amine is CC(C)(C)CC(F)(F)C1CCN(CC2CCCCC2)CC1.CC(C)(C)CCC1CCN(CC2CCCCC2)CC1.CN(CCC(C)(C)C)CCC(C)(C)C.CN(CCCC(C)(C)C)CCCC(C)(C)C.CN(CCCN1CCCCC1)CCC(C)(C)C.CN(CCCN1CCCCC1)CCCC(C)(C)C.CN(CCN1CCCCC1)CCC(C)(C)C.
What is the InChIKey of 1-(cyclohexylmethyl)-4-(1,1-difluoro-3,3-dimethylbutyl)piperidine;1-(cyclohexylmethyl)-4-(3,3-dimethylbutyl)piperidine;N-(3,3-dimethylbutyl)-N,3,3-trimethylbutan-1-amine;N-(4,4-dimethylpentyl)-N,4,4-trimethylpentan-1-amine;N,3,3-trimethyl-N-(2-piperidin-1-ylethyl)butan-1-amine;N,3,3-trimethyl-N-(3-piperidin-1-ylpropyl)butan-1-amine;N,4,4-trimethyl-N-(3-piperidin-1-ylpropyl)pentan-1-amine?
The InChIKey is BDMFDRBELUVOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33F2N.C18H35N.C16H34N2.C15H32N2.C15H33N.C14H30N2.C13H29N/c1-17(2,3)14-18(19,20)16-9-11-21(12-10-16)13-15-7-5-4-6-8-15;1-18(2,3)12-9-16-10-13-19(14-11-16)15-17-7-5-4-6-8-17;1-16(2,3)10-8-11-17(4)12-9-15-18-13-6-5-7-14-18;1-15(2,3)9-14-16(4)10-8-13-17-11-6-5-7-12-17;1-14(2,3)10-8-12-16(7)13-9-11-15(4,5)6;1-14(2,3)8-11-15(4)12-13-16-9-6-5-7-10-16;1-12(2,3)8-10-14(7)11-9-13(4,5)6/h15-16H,4-14H2,1-3H3;16-17H,4-15H2,1-3H3;5-15H2,1-4H3;5-14H2,1-4H3;8-13H2,1-7H3;5-13H2,1-4H3;8-11H2,1-7H3.
What are the key properties of 1-(cyclohexylmethyl)-4-(1,1-difluoro-3,3-dimethylbutyl)piperidine;1-(cyclohexylmethyl)-4-(3,3-dimethylbutyl)piperidine;N-(3,3-dimethylbutyl)-N,3,3-trimethylbutan-1-amine;N-(4,4-dimethylpentyl)-N,4,4-trimethylpentan-1-amine;N,3,3-trimethyl-N-(2-piperidin-1-ylethyl)butan-1-amine;N,3,3-trimethyl-N-(3-piperidin-1-ylpropyl)butan-1-amine;N,4,4-trimethyl-N-(3-piperidin-1-ylpropyl)pentan-1-amine?
1-(cyclohexylmethyl)-4-(1,1-difluoro-3,3-dimethylbutyl)piperidine;1-(cyclohexylmethyl)-4-(3,3-dimethylbutyl)piperidine;N-(3,3-dimethylbutyl)-N,3,3-trimethylbutan-1-amine;N-(4,4-dimethylpentyl)-N,4,4-trimethylpentan-1-amine;N,3,3-trimethyl-N-(2-piperidin-1-ylethyl)butan-1-amine;N,3,3-trimethyl-N-(3-piperidin-1-ylpropyl)butan-1-amine;N,4,4-trimethyl-N-(3-piperidin-1-ylpropyl)pentan-1-amine has a molecular weight of 1715.07 g/mol, XLogP of 28.51, 36 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-4-(1,1-difluoro-3,3-dimethylbutyl)piperidine;1-(cyclohexylmethyl)-4-(3,3-dimethylbutyl)piperidine;N-(3,3-dimethylbutyl)-N,3,3-trimethylbutan-1-amine;N-(4,4-dimethylpentyl)-N,4,4-trimethylpentan-1-amine;N,3,3-trimethyl-N-(2-piperidin-1-ylethyl)butan-1-amine;N,3,3-trimethyl-N-(3-piperidin-1-ylpropyl)butan-1-amine;N,4,4-trimethyl-N-(3-piperidin-1-ylpropyl)pentan-1-amine is sourced from PubChem (CID 157314956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).