1-(1-cyclohexyl-1-phenylethyl)piperidine;1-cyclopentyl-N,N-diethyl-1-phenylethanamine;ethane

C38H62N2 — CID 171097748

IUPAC1-(1-cyclohexyl-1-phenylethyl)piperidine;1-cyclopentyl-N,N-diethyl-1-phenylethanamine;ethane
SMILESCC.CC(c1ccccc1)(C1CCCCC1)N1CCCCC1.CCN(CC)C(C)(c1ccccc1)C1CCCC1
InChIInChI=1S/C19H29N.C17H27N.C2H6/c1-19(17-11-5-2-6-12-17,18-13-7-3-8-14-18)20-15-9-4-10-16-20;1-4-18(5-2)17(3,16-13-9-10-14-16)15-11-7-6-8-12-15;1-2/h2,5-6,11-12,18H,3-4,7-10,13-16H2,1H3;6-8,11-12,16H,4-5,9-10,13-14H2,1-3H3;1-2H3
InChIKeyGYWFMNPVPXFLFX-UHFFFAOYSA-N
MW546.93 g/mol
LogP10.43
Rot. Bonds8

About 1-(1-cyclohexyl-1-phenylethyl)piperidine;1-cyclopentyl-N,N-diethyl-1-phenylethanamine;ethane

1-(1-cyclohexyl-1-phenylethyl)piperidine;1-cyclopentyl-N,N-diethyl-1-phenylethanamine;ethane (PubChem CID 171097748) has the molecular formula C38H62N2 and a molecular weight of 546.93 g/mol. Its IUPAC name is 1-(1-cyclohexyl-1-phenylethyl)piperidine;1-cyclopentyl-N,N-diethyl-1-phenylethanamine;ethane.

Molecular Properties

Compound Name1-(1-cyclohexyl-1-phenylethyl)piperidine;1-cyclopentyl-N,N-diethyl-1-phenylethanamine;ethane
PubChem CID171097748
Molecular FormulaC38H62N2
Molecular Weight546.93 g/mol
Exact Mass546.49
IUPAC Name1-(1-cyclohexyl-1-phenylethyl)piperidine;1-cyclopentyl-N,N-diethyl-1-phenylethanamine;ethane
SMILESCC.CC(c1ccccc1)(C1CCCCC1)N1CCCCC1.CCN(CC)C(C)(c1ccccc1)C1CCCC1
InChIInChI=1S/C19H29N.C17H27N.C2H6/c1-19(17-11-5-2-6-12-17,18-13-7-3-8-14-18)20-15-9-4-10-16-20;1-4-18(5-2)17(3,16-13-9-10-14-16)15-11-7-6-8-12-15;1-2/h2,5-6,11-12,18H,3-4,7-10,13-16H2,1H3;6-8,11-12,16H,4-5,9-10,13-14H2,1-3H3;1-2H3
InChIKeyGYWFMNPVPXFLFX-UHFFFAOYSA-N
XLogP10.43
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.93
LogP ≤ 510.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexyl-1-phenylethyl)piperidine;1-cyclopentyl-N,N-diethyl-1-phenylethanamine;ethane?
The IUPAC name of 1-(1-cyclohexyl-1-phenylethyl)piperidine;1-cyclopentyl-N,N-diethyl-1-phenylethanamine;ethane (CID 171097748) is 1-(1-cyclohexyl-1-phenylethyl)piperidine;1-cyclopentyl-N,N-diethyl-1-phenylethanamine;ethane.
What is the SMILES notation for 1-(1-cyclohexyl-1-phenylethyl)piperidine;1-cyclopentyl-N,N-diethyl-1-phenylethanamine;ethane?
The canonical SMILES for 1-(1-cyclohexyl-1-phenylethyl)piperidine;1-cyclopentyl-N,N-diethyl-1-phenylethanamine;ethane is CC.CC(c1ccccc1)(C1CCCCC1)N1CCCCC1.CCN(CC)C(C)(c1ccccc1)C1CCCC1.
What is the InChIKey of 1-(1-cyclohexyl-1-phenylethyl)piperidine;1-cyclopentyl-N,N-diethyl-1-phenylethanamine;ethane?
The InChIKey is GYWFMNPVPXFLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N.C17H27N.C2H6/c1-19(17-11-5-2-6-12-17,18-13-7-3-8-14-18)20-15-9-4-10-16-20;1-4-18(5-2)17(3,16-13-9-10-14-16)15-11-7-6-8-12-15;1-2/h2,5-6,11-12,18H,3-4,7-10,13-16H2,1H3;6-8,11-12,16H,4-5,9-10,13-14H2,1-3H3;1-2H3.
What are the key properties of 1-(1-cyclohexyl-1-phenylethyl)piperidine;1-cyclopentyl-N,N-diethyl-1-phenylethanamine;ethane?
1-(1-cyclohexyl-1-phenylethyl)piperidine;1-cyclopentyl-N,N-diethyl-1-phenylethanamine;ethane has a molecular weight of 546.93 g/mol, XLogP of 10.43, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexyl-1-phenylethyl)piperidine;1-cyclopentyl-N,N-diethyl-1-phenylethanamine;ethane is sourced from PubChem (CID 171097748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).