N-methyl-2-[4-[3-methyl-2-(2-phenylmethoxyphenyl)-1H-indol-5-yl]piperidin-1-yl]ethanamine

C30H35N3O — CID 58730804

IUPACN-methyl-2-[4-[3-methyl-2-(2-phenylmethoxyphenyl)-1H-indol-5-yl]piperidin-1-yl]ethanamine
SMILESCNCCN1CCC(c2ccc3[nH]c(-c4ccccc4OCc4ccccc4)c(C)c3c2)CC1
InChIInChI=1S/C30H35N3O/c1-22-27-20-25(24-14-17-33(18-15-24)19-16-31-2)12-13-28(27)32-30(22)26-10-6-7-11-29(26)34-21-23-8-4-3-5-9-23/h3-13,20,24,31-32H,14-19,21H2,1-2H3
InChIKeyIBKBOGAROMNJBV-UHFFFAOYSA-N
MW453.63 g/mol
LogP6.12
Rot. Bonds8

About N-methyl-2-[4-[3-methyl-2-(2-phenylmethoxyphenyl)-1H-indol-5-yl]piperidin-1-yl]ethanamine

N-methyl-2-[4-[3-methyl-2-(2-phenylmethoxyphenyl)-1H-indol-5-yl]piperidin-1-yl]ethanamine (PubChem CID 58730804) has the molecular formula C30H35N3O and a molecular weight of 453.63 g/mol. Its IUPAC name is N-methyl-2-[4-[3-methyl-2-(2-phenylmethoxyphenyl)-1H-indol-5-yl]piperidin-1-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[4-[3-methyl-2-(2-phenylmethoxyphenyl)-1H-indol-5-yl]piperidin-1-yl]ethanamine
PubChem CID58730804
Molecular FormulaC30H35N3O
Molecular Weight453.63 g/mol
Exact Mass453.28
IUPAC NameN-methyl-2-[4-[3-methyl-2-(2-phenylmethoxyphenyl)-1H-indol-5-yl]piperidin-1-yl]ethanamine
SMILESCNCCN1CCC(c2ccc3[nH]c(-c4ccccc4OCc4ccccc4)c(C)c3c2)CC1
InChIInChI=1S/C30H35N3O/c1-22-27-20-25(24-14-17-33(18-15-24)19-16-31-2)12-13-28(27)32-30(22)26-10-6-7-11-29(26)34-21-23-8-4-3-5-9-23/h3-13,20,24,31-32H,14-19,21H2,1-2H3
InChIKeyIBKBOGAROMNJBV-UHFFFAOYSA-N
XLogP6.12
TPSA40.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.63
LogP ≤ 56.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-[4-[3-methyl-2-(2-propan-2-yloxyphenyl)-1H-indol-5-yl]piperidin-1-yl]ethanamine
CID 58730842
2-[4-[2-(2,5-dimethoxyphenyl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine
CID 58730857
2-[4-[2-(2-methoxy-5-propan-2-ylphenyl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine
CID 58730788
2-[4-[2-(3-fluoro-4-methoxyphenyl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine
CID 58730850
N-methyl-2-[4-[3-methyl-2-[2-(trifluoromethyl)-4-pyridinyl]-1H-indol-5-yl]piperidin-1-yl]ethanamine
CID 134329284
N-[4-fluoro-2-[3-fluoro-5-[1-[2-(methylamino)ethyl]piperidin-4-yl]-1H-indol-2-yl]phenyl]methanesulfonamide
CID 58730856
2-[4-(2-benzyl-7-methyl-3H-benzimidazol-5-yl)piperidin-1-yl]-N-methylethanamine
CID 58730853
2-[4-(3H-benzimidazol-5-yl)piperidin-1-yl]-N-methylethanamine
CID 58730699
N-methyl-2-[4-[7-methyl-2-[2-(trifluoromethoxy)phenyl]-3H-benzimidazol-5-yl]piperidin-1-yl]ethanamine
CID 58730838
N-methyl-3-[1-[2-(methylamino)ethyl]piperidin-4-yl]aniline
CID 145463368
2-[(3S)-3-benzylpyrrolidin-1-yl]-N-methylethanamine
CID 67739617
2-(3,4-dimethoxyphenyl)-5-[1-[1-(5-methoxypentyl)piperidin-4-yl]piperidin-4-yl]-3-methyl-1H-indole
CID 142283581

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-[3-methyl-2-(2-phenylmethoxyphenyl)-1H-indol-5-yl]piperidin-1-yl]ethanamine?
The IUPAC name of N-methyl-2-[4-[3-methyl-2-(2-phenylmethoxyphenyl)-1H-indol-5-yl]piperidin-1-yl]ethanamine (CID 58730804) is N-methyl-2-[4-[3-methyl-2-(2-phenylmethoxyphenyl)-1H-indol-5-yl]piperidin-1-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[4-[3-methyl-2-(2-phenylmethoxyphenyl)-1H-indol-5-yl]piperidin-1-yl]ethanamine?
The canonical SMILES for N-methyl-2-[4-[3-methyl-2-(2-phenylmethoxyphenyl)-1H-indol-5-yl]piperidin-1-yl]ethanamine is CNCCN1CCC(c2ccc3[nH]c(-c4ccccc4OCc4ccccc4)c(C)c3c2)CC1.
What is the InChIKey of N-methyl-2-[4-[3-methyl-2-(2-phenylmethoxyphenyl)-1H-indol-5-yl]piperidin-1-yl]ethanamine?
The InChIKey is IBKBOGAROMNJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O/c1-22-27-20-25(24-14-17-33(18-15-24)19-16-31-2)12-13-28(27)32-30(22)26-10-6-7-11-29(26)34-21-23-8-4-3-5-9-23/h3-13,20,24,31-32H,14-19,21H2,1-2H3.
What are the key properties of N-methyl-2-[4-[3-methyl-2-(2-phenylmethoxyphenyl)-1H-indol-5-yl]piperidin-1-yl]ethanamine?
N-methyl-2-[4-[3-methyl-2-(2-phenylmethoxyphenyl)-1H-indol-5-yl]piperidin-1-yl]ethanamine has a molecular weight of 453.63 g/mol, XLogP of 6.12, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-[3-methyl-2-(2-phenylmethoxyphenyl)-1H-indol-5-yl]piperidin-1-yl]ethanamine is sourced from PubChem (CID 58730804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).