1-[2-[1H-indol-3-ylmethyl(methyl)amino]ethyl]-N,N-dimethyl-4-phenylpiperidin-4-amine

C25H34N4 — CID 68632050

IUPAC1-[2-[1H-indol-3-ylmethyl(methyl)amino]ethyl]-N,N-dimethyl-4-phenylpiperidin-4-amine
SMILESCN(CCN1CCC(c2ccccc2)(N(C)C)CC1)Cc1c[nH]c2ccccc12
InChIInChI=1S/C25H34N4/c1-27(2)25(22-9-5-4-6-10-22)13-15-29(16-14-25)18-17-28(3)20-21-19-26-24-12-8-7-11-23(21)24/h4-12,19,26H,13-18,20H2,1-3H3
InChIKeyXKPOKDKPDLQOGR-UHFFFAOYSA-N
MW390.58 g/mol
LogP4.15
Rot. Bonds7

About 1-[2-[1H-indol-3-ylmethyl(methyl)amino]ethyl]-N,N-dimethyl-4-phenylpiperidin-4-amine

1-[2-[1H-indol-3-ylmethyl(methyl)amino]ethyl]-N,N-dimethyl-4-phenylpiperidin-4-amine (PubChem CID 68632050) has the molecular formula C25H34N4 and a molecular weight of 390.58 g/mol. Its IUPAC name is 1-[2-[1H-indol-3-ylmethyl(methyl)amino]ethyl]-N,N-dimethyl-4-phenylpiperidin-4-amine.

Molecular Properties

Compound Name1-[2-[1H-indol-3-ylmethyl(methyl)amino]ethyl]-N,N-dimethyl-4-phenylpiperidin-4-amine
PubChem CID68632050
Molecular FormulaC25H34N4
Molecular Weight390.58 g/mol
Exact Mass390.28
IUPAC Name1-[2-[1H-indol-3-ylmethyl(methyl)amino]ethyl]-N,N-dimethyl-4-phenylpiperidin-4-amine
SMILESCN(CCN1CCC(c2ccccc2)(N(C)C)CC1)Cc1c[nH]c2ccccc12
InChIInChI=1S/C25H34N4/c1-27(2)25(22-9-5-4-6-10-22)13-15-29(16-14-25)18-17-28(3)20-21-19-26-24-12-8-7-11-23(21)24/h4-12,19,26H,13-18,20H2,1-3H3
InChIKeyXKPOKDKPDLQOGR-UHFFFAOYSA-N
XLogP4.15
TPSA25.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.58
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-indol-3-ylmethyl)-N-methylpropan-1-amine
CID 142231865
2-(1H-indol-3-yl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 63208732
1-[2-(1H-indol-3-ylmethylamino)ethyl]-N,N-dimethyl-4-thiophen-2-ylpiperidin-4-amine
CID 68630809
3-[1H-indol-3-ylmethyl(methyl)amino]-2-methylpropanoic acid
CID 65067496
5-[1H-indol-3-ylmethyl(methyl)amino]pentanoic acid
CID 115219091
3-[2-(4,4-difluoropiperidin-1-yl)ethyl]-1H-indole
CID 117007752
N'-(1H-indol-3-ylmethyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine
CID 113409137
2-[4-(dimethylamino)-4-phenylcyclohexylidene]-6-(1H-indol-3-yl)hexanamide
CID 69335635
1-(1H-indol-3-ylmethyl)-4-methylpiperidine-4-carboxylic acid
CID 65065153
2-[1H-indol-3-ylmethyl(methyl)amino]acetamide
CID 115259992
N-methyl-2-piperazin-1-yl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
CID 66410620
2-[[4-(dimethylamino)-4-phenylcyclohexyl]amino]-3-(1H-indol-3-yl)propanamide;dihydrochloride
CID 68785177

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1H-indol-3-ylmethyl(methyl)amino]ethyl]-N,N-dimethyl-4-phenylpiperidin-4-amine?
The IUPAC name of 1-[2-[1H-indol-3-ylmethyl(methyl)amino]ethyl]-N,N-dimethyl-4-phenylpiperidin-4-amine (CID 68632050) is 1-[2-[1H-indol-3-ylmethyl(methyl)amino]ethyl]-N,N-dimethyl-4-phenylpiperidin-4-amine.
What is the SMILES notation for 1-[2-[1H-indol-3-ylmethyl(methyl)amino]ethyl]-N,N-dimethyl-4-phenylpiperidin-4-amine?
The canonical SMILES for 1-[2-[1H-indol-3-ylmethyl(methyl)amino]ethyl]-N,N-dimethyl-4-phenylpiperidin-4-amine is CN(CCN1CCC(c2ccccc2)(N(C)C)CC1)Cc1c[nH]c2ccccc12.
What is the InChIKey of 1-[2-[1H-indol-3-ylmethyl(methyl)amino]ethyl]-N,N-dimethyl-4-phenylpiperidin-4-amine?
The InChIKey is XKPOKDKPDLQOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4/c1-27(2)25(22-9-5-4-6-10-22)13-15-29(16-14-25)18-17-28(3)20-21-19-26-24-12-8-7-11-23(21)24/h4-12,19,26H,13-18,20H2,1-3H3.
What are the key properties of 1-[2-[1H-indol-3-ylmethyl(methyl)amino]ethyl]-N,N-dimethyl-4-phenylpiperidin-4-amine?
1-[2-[1H-indol-3-ylmethyl(methyl)amino]ethyl]-N,N-dimethyl-4-phenylpiperidin-4-amine has a molecular weight of 390.58 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1H-indol-3-ylmethyl(methyl)amino]ethyl]-N,N-dimethyl-4-phenylpiperidin-4-amine is sourced from PubChem (CID 68632050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).