1-benzyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-phenylpiperidin-4-amine

C29H33N3O — CID 6488130

IUPAC1-benzyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-phenylpiperidin-4-amine
SMILESCOc1ccc2[nH]cc(CCNC3CCN(Cc4ccccc4)CC3c3ccccc3)c2c1
InChIInChI=1S/C29H33N3O/c1-33-25-12-13-28-26(18-25)24(19-31-28)14-16-30-29-15-17-32(20-22-8-4-2-5-9-22)21-27(29)23-10-6-3-7-11-23/h2-13,18-19,27,29-31H,14-17,20-21H2,1H3
InChIKeyLFBLAPKRGFZMMM-UHFFFAOYSA-N
MW439.60 g/mol
LogP5.37
Rot. Bonds8

About 1-benzyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-phenylpiperidin-4-amine

1-benzyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-phenylpiperidin-4-amine (PubChem CID 6488130) has the molecular formula C29H33N3O and a molecular weight of 439.60 g/mol. Its IUPAC name is 1-benzyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-phenylpiperidin-4-amine.

Molecular Properties

Compound Name1-benzyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-phenylpiperidin-4-amine
PubChem CID6488130
Molecular FormulaC29H33N3O
Molecular Weight439.60 g/mol
Exact Mass439.26
IUPAC Name1-benzyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-phenylpiperidin-4-amine
SMILESCOc1ccc2[nH]cc(CCNC3CCN(Cc4ccccc4)CC3c3ccccc3)c2c1
InChIInChI=1S/C29H33N3O/c1-33-25-12-13-28-26(18-25)24(19-31-28)14-16-30-29-15-17-32(20-22-8-4-2-5-9-22)21-27(29)23-10-6-3-7-11-23/h2-13,18-19,27,29-31H,14-17,20-21H2,1H3
InChIKeyLFBLAPKRGFZMMM-UHFFFAOYSA-N
XLogP5.37
TPSA40.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.60
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4R)-N,1-dibenzyl-3-phenylpiperidin-4-amine
CID 7450726
(3S,4S)-N,1-dibenzyl-3-phenylpiperidin-4-amine
CID 11905043
N-[(5-methoxy-1H-indol-3-yl)methyl]-2-phenylethanamine
CID 25219438
1-(2-phenylethyl)-N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]piperidin-4-amine
CID 23967992
1-benzyl-N-[2-(2-iodo-5-methoxyphenyl)ethyl]pyrrolidin-3-amine
CID 68999578
N,1-dibenzyl-3-(4-ethoxyphenyl)piperidin-4-amine
CID 6488319
1-benzyl-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]urea
CID 18947306
(3R,4R)-1-benzyl-N-[(2-chlorophenyl)methyl]-3-phenylpiperidin-4-amine
CID 7441557
1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(2-phenylethyl)thiourea
CID 2972714
3-(1-benzyl-2,5-dioxoimidazolidin-4-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide
CID 75357106
1-benzyl-3-phenyl-N-(2-piperidin-1-ylethyl)piperidin-4-amine;dihydrochloride
CID 175654335
(3R,4R)-1-benzyl-4-(4-methoxyphenyl)piperidin-3-ol
CID 118207526

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-phenylpiperidin-4-amine?
The IUPAC name of 1-benzyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-phenylpiperidin-4-amine (CID 6488130) is 1-benzyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-phenylpiperidin-4-amine.
What is the SMILES notation for 1-benzyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-phenylpiperidin-4-amine?
The canonical SMILES for 1-benzyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-phenylpiperidin-4-amine is COc1ccc2[nH]cc(CCNC3CCN(Cc4ccccc4)CC3c3ccccc3)c2c1.
What is the InChIKey of 1-benzyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-phenylpiperidin-4-amine?
The InChIKey is LFBLAPKRGFZMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O/c1-33-25-12-13-28-26(18-25)24(19-31-28)14-16-30-29-15-17-32(20-22-8-4-2-5-9-22)21-27(29)23-10-6-3-7-11-23/h2-13,18-19,27,29-31H,14-17,20-21H2,1H3.
What are the key properties of 1-benzyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-phenylpiperidin-4-amine?
1-benzyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-phenylpiperidin-4-amine has a molecular weight of 439.60 g/mol, XLogP of 5.37, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-phenylpiperidin-4-amine is sourced from PubChem (CID 6488130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).