3-(3-phenylpropyl)-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indole

C31H42N2 — CID 161170401

IUPAC3-(3-phenylpropyl)-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indole
SMILESCC(C)C1CCC(N2CCC(n3cc(CCCc4ccccc4)c4ccccc43)CC2)CC1
InChIInChI=1S/C31H42N2/c1-24(2)26-15-17-28(18-16-26)32-21-19-29(20-22-32)33-23-27(30-13-6-7-14-31(30)33)12-8-11-25-9-4-3-5-10-25/h3-7,9-10,13-14,23-24,26,28-29H,8,11-12,15-22H2,1-2H3
InChIKeyURCIMWFFQZNINI-UHFFFAOYSA-N
MW442.69 g/mol
LogP7.67
Rot. Bonds7

About 3-(3-phenylpropyl)-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indole

3-(3-phenylpropyl)-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indole (PubChem CID 161170401) has the molecular formula C31H42N2 and a molecular weight of 442.69 g/mol. Its IUPAC name is 3-(3-phenylpropyl)-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indole.

Molecular Properties

Compound Name3-(3-phenylpropyl)-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indole
PubChem CID161170401
Molecular FormulaC31H42N2
Molecular Weight442.69 g/mol
Exact Mass442.33
IUPAC Name3-(3-phenylpropyl)-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indole
SMILESCC(C)C1CCC(N2CCC(n3cc(CCCc4ccccc4)c4ccccc43)CC2)CC1
InChIInChI=1S/C31H42N2/c1-24(2)26-15-17-28(18-16-26)32-21-19-29(20-22-32)33-23-27(30-13-6-7-14-31(30)33)12-8-11-25-9-4-3-5-10-25/h3-7,9-10,13-14,23-24,26,28-29H,8,11-12,15-22H2,1-2H3
InChIKeyURCIMWFFQZNINI-UHFFFAOYSA-N
XLogP7.67
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.69
LogP ≤ 57.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-phenylpropyl)-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indole?
The IUPAC name of 3-(3-phenylpropyl)-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indole (CID 161170401) is 3-(3-phenylpropyl)-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indole.
What is the SMILES notation for 3-(3-phenylpropyl)-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indole?
The canonical SMILES for 3-(3-phenylpropyl)-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indole is CC(C)C1CCC(N2CCC(n3cc(CCCc4ccccc4)c4ccccc43)CC2)CC1.
What is the InChIKey of 3-(3-phenylpropyl)-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indole?
The InChIKey is URCIMWFFQZNINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H42N2/c1-24(2)26-15-17-28(18-16-26)32-21-19-29(20-22-32)33-23-27(30-13-6-7-14-31(30)33)12-8-11-25-9-4-3-5-10-25/h3-7,9-10,13-14,23-24,26,28-29H,8,11-12,15-22H2,1-2H3.
What are the key properties of 3-(3-phenylpropyl)-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indole?
3-(3-phenylpropyl)-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indole has a molecular weight of 442.69 g/mol, XLogP of 7.67, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenylpropyl)-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indole is sourced from PubChem (CID 161170401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).