N-[3-(1-cyclohexylindol-3-yl)-4-(3-methylphenyl)butyl]piperidin-4-amine;methane

C31H45N3 — CID 157117913

IUPACN-[3-(1-cyclohexylindol-3-yl)-4-(3-methylphenyl)butyl]piperidin-4-amine;methane
SMILESC.Cc1cccc(CC(CCNC2CCNCC2)c2cn(C3CCCCC3)c3ccccc23)c1
InChIInChI=1S/C30H41N3.CH4/c1-23-8-7-9-24(20-23)21-25(14-19-32-26-15-17-31-18-16-26)29-22-33(27-10-3-2-4-11-27)30-13-6-5-12-28(29)30;/h5-9,12-13,20,22,25-27,31-32H,2-4,10-11,14-19,21H2,1H3;1H4
InChIKeyAHPSPFMXMDMOLE-UHFFFAOYSA-N
MW459.72 g/mol
LogP7.15
Rot. Bonds8

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

N-[3-(1-cyclohexylindol-3-yl)-4-(3-methylphenyl)butyl]piperidin-4-amine;methane (PubChem CID 157117913) has the molecular formula C31H45N3 and a molecular weight of 459.72 g/mol. Its IUPAC name is N-[3-(1-cyclohexylindol-3-yl)-4-(3-methylphenyl)butyl]piperidin-4-amine;methane.

Molecular Properties

Compound NameN-[3-(1-cyclohexylindol-3-yl)-4-(3-methylphenyl)butyl]piperidin-4-amine;methane
PubChem CID157117913
Molecular FormulaC31H45N3
Molecular Weight459.72 g/mol
Exact Mass459.36
IUPAC NameN-[3-(1-cyclohexylindol-3-yl)-4-(3-methylphenyl)butyl]piperidin-4-amine;methane
SMILESC.Cc1cccc(CC(CCNC2CCNCC2)c2cn(C3CCCCC3)c3ccccc23)c1
InChIInChI=1S/C30H41N3.CH4/c1-23-8-7-9-24(20-23)21-25(14-19-32-26-15-17-31-18-16-26)29-22-33(27-10-3-2-4-11-27)30-13-6-5-12-28(29)30;/h5-9,12-13,20,22,25-27,31-32H,2-4,10-11,14-19,21H2,1H3;1H4
InChIKeyAHPSPFMXMDMOLE-UHFFFAOYSA-N
XLogP7.15
TPSA28.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.72
LogP ≤ 57.15
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)-4-(3-methylphenyl)butyl]piperidin-4-amine;methane?
The IUPAC name of N-[3-(1-cyclohexylindol-3-yl)-4-(3-methylphenyl)butyl]piperidin-4-amine;methane (CID 157117913) is N-[3-(1-cyclohexylindol-3-yl)-4-(3-methylphenyl)butyl]piperidin-4-amine;methane.
What is the SMILES notation for N-[3-(1-cyclohexylindol-3-yl)-4-(3-methylphenyl)butyl]piperidin-4-amine;methane?
The canonical SMILES for N-[3-(1-cyclohexylindol-3-yl)-4-(3-methylphenyl)butyl]piperidin-4-amine;methane is C.Cc1cccc(CC(CCNC2CCNCC2)c2cn(C3CCCCC3)c3ccccc23)c1.
What is the InChIKey of N-[3-(1-cyclohexylindol-3-yl)-4-(3-methylphenyl)butyl]piperidin-4-amine;methane?
The InChIKey is AHPSPFMXMDMOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41N3.CH4/c1-23-8-7-9-24(20-23)21-25(14-19-32-26-15-17-31-18-16-26)29-22-33(27-10-3-2-4-11-27)30-13-6-5-12-28(29)30;/h5-9,12-13,20,22,25-27,31-32H,2-4,10-11,14-19,21H2,1H3;1H4.
What are the key properties of N-[3-(1-cyclohexylindol-3-yl)-4-(3-methylphenyl)butyl]piperidin-4-amine;methane?
N-[3-(1-cyclohexylindol-3-yl)-4-(3-methylphenyl)butyl]piperidin-4-amine;methane has a molecular weight of 459.72 g/mol, XLogP of 7.15, 8 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)-4-(3-methylphenyl)butyl]piperidin-4-amine;methane is sourced from PubChem (CID 157117913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).