1-cyclohexyl-N,N-dimethyl-3-(4-phenylpiperidin-1-yl)propan-2-amine;ethane

C26H48N2 — CID 91270011

IUPAC1-cyclohexyl-N,N-dimethyl-3-(4-phenylpiperidin-1-yl)propan-2-amine;ethane
SMILESCC.CC.CN(C)C(CC1CCCCC1)CN1CCC(c2ccccc2)CC1
InChIInChI=1S/C22H36N2.2C2H6/c1-23(2)22(17-19-9-5-3-6-10-19)18-24-15-13-21(14-16-24)20-11-7-4-8-12-20;2*1-2/h4,7-8,11-12,19,21-22H,3,5-6,9-10,13-18H2,1-2H3;2*1-2H3
InChIKeyIJNOBODMILUWMI-UHFFFAOYSA-N
MW388.68 g/mol
LogP6.82
Rot. Bonds6

About 1-cyclohexyl-N,N-dimethyl-3-(4-phenylpiperidin-1-yl)propan-2-amine;ethane

1-cyclohexyl-N,N-dimethyl-3-(4-phenylpiperidin-1-yl)propan-2-amine;ethane (PubChem CID 91270011) has the molecular formula C26H48N2 and a molecular weight of 388.68 g/mol. Its IUPAC name is 1-cyclohexyl-N,N-dimethyl-3-(4-phenylpiperidin-1-yl)propan-2-amine;ethane.

Molecular Properties

Compound Name1-cyclohexyl-N,N-dimethyl-3-(4-phenylpiperidin-1-yl)propan-2-amine;ethane
PubChem CID91270011
Molecular FormulaC26H48N2
Molecular Weight388.68 g/mol
Exact Mass388.38
IUPAC Name1-cyclohexyl-N,N-dimethyl-3-(4-phenylpiperidin-1-yl)propan-2-amine;ethane
SMILESCC.CC.CN(C)C(CC1CCCCC1)CN1CCC(c2ccccc2)CC1
InChIInChI=1S/C22H36N2.2C2H6/c1-23(2)22(17-19-9-5-3-6-10-19)18-24-15-13-21(14-16-24)20-11-7-4-8-12-20;2*1-2/h4,7-8,11-12,19,21-22H,3,5-6,9-10,13-18H2,1-2H3;2*1-2H3
InChIKeyIJNOBODMILUWMI-UHFFFAOYSA-N
XLogP6.82
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.68
LogP ≤ 56.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-phenylpiperidin-1-yl)-3-piperidin-1-ylpropan-2-ol
CID 3030548
1-[1-(azepan-1-yl)-2-(3-phenylpyrrolidin-1-yl)ethyl]azepane
CID 67642136
1,3-dicyclopentyl-N,N-dimethylpropan-2-amine
CID 58122659
2-cyclobutyl-1-[(3S)-3-phenylpyrrolidin-1-yl]ethanol
CID 142021655
1-[(E)-but-2-enyl]-4-phenylpiperidine
CID 22888236
2-methyl-3-(3-phenylpyrrolidin-1-yl)propanenitrile
CID 62131750
CID 159076923
CID 159076923
trans-(1S,2S)-2-[(4-phenylpiperidin-1-yl)methyl]cyclohexan-1-ol
CID 70691042
1-(4-phenylpiperidin-1-yl)azepane
CID 67304390
benzyl N-methyl-N-[1-(1-methylpiperidin-4-yl)-3-pyrrolidin-1-ylpropan-2-yl]carbamate
CID 2769576
1-cyclodecyl-4-phenylpiperidine;hydrochloride
CID 70215634
1-(2-chloroethyl)-4-phenylpiperidine
CID 13195407

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N,N-dimethyl-3-(4-phenylpiperidin-1-yl)propan-2-amine;ethane?
The IUPAC name of 1-cyclohexyl-N,N-dimethyl-3-(4-phenylpiperidin-1-yl)propan-2-amine;ethane (CID 91270011) is 1-cyclohexyl-N,N-dimethyl-3-(4-phenylpiperidin-1-yl)propan-2-amine;ethane.
What is the SMILES notation for 1-cyclohexyl-N,N-dimethyl-3-(4-phenylpiperidin-1-yl)propan-2-amine;ethane?
The canonical SMILES for 1-cyclohexyl-N,N-dimethyl-3-(4-phenylpiperidin-1-yl)propan-2-amine;ethane is CC.CC.CN(C)C(CC1CCCCC1)CN1CCC(c2ccccc2)CC1.
What is the InChIKey of 1-cyclohexyl-N,N-dimethyl-3-(4-phenylpiperidin-1-yl)propan-2-amine;ethane?
The InChIKey is IJNOBODMILUWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N2.2C2H6/c1-23(2)22(17-19-9-5-3-6-10-19)18-24-15-13-21(14-16-24)20-11-7-4-8-12-20;2*1-2/h4,7-8,11-12,19,21-22H,3,5-6,9-10,13-18H2,1-2H3;2*1-2H3.
What are the key properties of 1-cyclohexyl-N,N-dimethyl-3-(4-phenylpiperidin-1-yl)propan-2-amine;ethane?
1-cyclohexyl-N,N-dimethyl-3-(4-phenylpiperidin-1-yl)propan-2-amine;ethane has a molecular weight of 388.68 g/mol, XLogP of 6.82, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N,N-dimethyl-3-(4-phenylpiperidin-1-yl)propan-2-amine;ethane is sourced from PubChem (CID 91270011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).