4-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]-N,N-dimethyl-1-phenylcyclohexan-1-amine

C27H34ClN3 — CID 10458949

IUPAC4-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]-N,N-dimethyl-1-phenylcyclohexan-1-amine
SMILESCN(C)C1(c2ccccc2)CCC(N2CCC(c3c[nH]c4ccc(Cl)cc34)CC2)CC1
InChIInChI=1S/C27H34ClN3/c1-30(2)27(21-6-4-3-5-7-21)14-10-23(11-15-27)31-16-12-20(13-17-31)25-19-29-26-9-8-22(28)18-24(25)26/h3-9,18-20,23,29H,10-17H2,1-2H3
InChIKeyFWEACHZELGGQRO-UHFFFAOYSA-N
MW436.04 g/mol
LogP6.40
Rot. Bonds4

About 4-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]-N,N-dimethyl-1-phenylcyclohexan-1-amine

4-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]-N,N-dimethyl-1-phenylcyclohexan-1-amine (PubChem CID 10458949) has the molecular formula C27H34ClN3 and a molecular weight of 436.04 g/mol. Its IUPAC name is 4-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]-N,N-dimethyl-1-phenylcyclohexan-1-amine.

Molecular Properties

Compound Name4-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]-N,N-dimethyl-1-phenylcyclohexan-1-amine
PubChem CID10458949
Molecular FormulaC27H34ClN3
Molecular Weight436.04 g/mol
Exact Mass435.24
IUPAC Name4-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]-N,N-dimethyl-1-phenylcyclohexan-1-amine
SMILESCN(C)C1(c2ccccc2)CCC(N2CCC(c3c[nH]c4ccc(Cl)cc34)CC2)CC1
InChIInChI=1S/C27H34ClN3/c1-30(2)27(21-6-4-3-5-7-21)14-10-23(11-15-27)31-16-12-20(13-17-31)25-19-29-26-9-8-22(28)18-24(25)26/h3-9,18-20,23,29H,10-17H2,1-2H3
InChIKeyFWEACHZELGGQRO-UHFFFAOYSA-N
XLogP6.40
TPSA22.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.04
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]-N,N-dimethyl-1-phenylcyclohexan-1-amine?
The IUPAC name of 4-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]-N,N-dimethyl-1-phenylcyclohexan-1-amine (CID 10458949) is 4-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]-N,N-dimethyl-1-phenylcyclohexan-1-amine.
What is the SMILES notation for 4-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]-N,N-dimethyl-1-phenylcyclohexan-1-amine?
The canonical SMILES for 4-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]-N,N-dimethyl-1-phenylcyclohexan-1-amine is CN(C)C1(c2ccccc2)CCC(N2CCC(c3c[nH]c4ccc(Cl)cc34)CC2)CC1.
What is the InChIKey of 4-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]-N,N-dimethyl-1-phenylcyclohexan-1-amine?
The InChIKey is FWEACHZELGGQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34ClN3/c1-30(2)27(21-6-4-3-5-7-21)14-10-23(11-15-27)31-16-12-20(13-17-31)25-19-29-26-9-8-22(28)18-24(25)26/h3-9,18-20,23,29H,10-17H2,1-2H3.
What are the key properties of 4-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]-N,N-dimethyl-1-phenylcyclohexan-1-amine?
4-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]-N,N-dimethyl-1-phenylcyclohexan-1-amine has a molecular weight of 436.04 g/mol, XLogP of 6.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]-N,N-dimethyl-1-phenylcyclohexan-1-amine is sourced from PubChem (CID 10458949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).