N-[3-(1-cyclohexylindol-3-yl)-3-(3-methylphenyl)propyl]piperidin-4-amine;hydrochloride

C29H40ClN3 — CID 162459838

IUPACN-[3-(1-cyclohexylindol-3-yl)-3-(3-methylphenyl)propyl]piperidin-4-amine;hydrochloride
SMILESCc1cccc(C(CCNC2CCNCC2)c2cn(C3CCCCC3)c3ccccc23)c1.Cl
InChIInChI=1S/C29H39N3.ClH/c1-22-8-7-9-23(20-22)26(16-19-31-24-14-17-30-18-15-24)28-21-32(25-10-3-2-4-11-25)29-13-6-5-12-27(28)29;/h5-9,12-13,20-21,24-26,30-31H,2-4,10-11,14-19H2,1H3;1H
InChIKeyMXOQVMIVSRZPCX-UHFFFAOYSA-N
MW466.11 g/mol
LogP6.74
Rot. Bonds7

About N-[3-(1-cyclohexylindol-3-yl)-3-(3-methylphenyl)propyl]piperidin-4-amine;hydrochloride

N-[3-(1-cyclohexylindol-3-yl)-3-(3-methylphenyl)propyl]piperidin-4-amine;hydrochloride (PubChem CID 162459838) has the molecular formula C29H40ClN3 and a molecular weight of 466.11 g/mol. Its IUPAC name is N-[3-(1-cyclohexylindol-3-yl)-3-(3-methylphenyl)propyl]piperidin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-[3-(1-cyclohexylindol-3-yl)-3-(3-methylphenyl)propyl]piperidin-4-amine;hydrochloride
PubChem CID162459838
Molecular FormulaC29H40ClN3
Molecular Weight466.11 g/mol
Exact Mass465.29
IUPAC NameN-[3-(1-cyclohexylindol-3-yl)-3-(3-methylphenyl)propyl]piperidin-4-amine;hydrochloride
SMILESCc1cccc(C(CCNC2CCNCC2)c2cn(C3CCCCC3)c3ccccc23)c1.Cl
InChIInChI=1S/C29H39N3.ClH/c1-22-8-7-9-23(20-22)26(16-19-31-24-14-17-30-18-15-24)28-21-32(25-10-3-2-4-11-25)29-13-6-5-12-27(28)29;/h5-9,12-13,20-21,24-26,30-31H,2-4,10-11,14-19H2,1H3;1H
InChIKeyMXOQVMIVSRZPCX-UHFFFAOYSA-N
XLogP6.74
TPSA28.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.11
LogP ≤ 56.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1-cyclohexylindol-3-yl)-3-(3-methylphenyl)propyl]piperidin-4-amine;hydrochloride?
The IUPAC name of N-[3-(1-cyclohexylindol-3-yl)-3-(3-methylphenyl)propyl]piperidin-4-amine;hydrochloride (CID 162459838) is N-[3-(1-cyclohexylindol-3-yl)-3-(3-methylphenyl)propyl]piperidin-4-amine;hydrochloride.
What is the SMILES notation for N-[3-(1-cyclohexylindol-3-yl)-3-(3-methylphenyl)propyl]piperidin-4-amine;hydrochloride?
The canonical SMILES for N-[3-(1-cyclohexylindol-3-yl)-3-(3-methylphenyl)propyl]piperidin-4-amine;hydrochloride is Cc1cccc(C(CCNC2CCNCC2)c2cn(C3CCCCC3)c3ccccc23)c1.Cl.
What is the InChIKey of N-[3-(1-cyclohexylindol-3-yl)-3-(3-methylphenyl)propyl]piperidin-4-amine;hydrochloride?
The InChIKey is MXOQVMIVSRZPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39N3.ClH/c1-22-8-7-9-23(20-22)26(16-19-31-24-14-17-30-18-15-24)28-21-32(25-10-3-2-4-11-25)29-13-6-5-12-27(28)29;/h5-9,12-13,20-21,24-26,30-31H,2-4,10-11,14-19H2,1H3;1H.
What are the key properties of N-[3-(1-cyclohexylindol-3-yl)-3-(3-methylphenyl)propyl]piperidin-4-amine;hydrochloride?
N-[3-(1-cyclohexylindol-3-yl)-3-(3-methylphenyl)propyl]piperidin-4-amine;hydrochloride has a molecular weight of 466.11 g/mol, XLogP of 6.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-cyclohexylindol-3-yl)-3-(3-methylphenyl)propyl]piperidin-4-amine;hydrochloride is sourced from PubChem (CID 162459838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).