1-[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]ethanamine

C17H25N3 — CID 63597240

IUPAC1-[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]ethanamine
SMILESCC(N)C1CCN(Cc2cn(C)c3ccccc23)CC1
InChIInChI=1S/C17H25N3/c1-13(18)14-7-9-20(10-8-14)12-15-11-19(2)17-6-4-3-5-16(15)17/h3-6,11,13-14H,7-10,12,18H2,1-2H3
InChIKeyVZBCLJPBOPFRNK-UHFFFAOYSA-N
MW271.41 g/mol
LogP2.74
Rot. Bonds3

About 1-[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]ethanamine

1-[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]ethanamine (PubChem CID 63597240) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 1-[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]ethanamine
PubChem CID63597240
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name1-[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]ethanamine
SMILESCC(N)C1CCN(Cc2cn(C)c3ccccc23)CC1
InChIInChI=1S/C17H25N3/c1-13(18)14-7-9-20(10-8-14)12-15-11-19(2)17-6-4-3-5-16(15)17/h3-6,11,13-14H,7-10,12,18H2,1-2H3
InChIKeyVZBCLJPBOPFRNK-UHFFFAOYSA-N
XLogP2.74
TPSA34.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(1-ethylindol-3-yl)methyl]piperidin-4-yl]ethanamine
CID 63596895
1-[1-[(1-ethylindol-3-yl)methyl]pyrrolidin-3-yl]ethanamine
CID 103975700
1-[(1-methylindol-3-yl)methyl]pyrrolidin-3-amine
CID 55030033
4-[(1-methylindol-3-yl)methyl]morpholine
CID 15496284
N-[[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]methyl]ethanamine
CID 80550532
1-methyl-3-[[(3S)-3-phenylpyrrolidin-1-yl]methyl]indole
CID 162743380
N-methyl-1-[1-[(1-methylindol-3-yl)methyl]pyrrolidin-3-yl]methanamine
CID 63263270
N-[1-(4-ethylphenyl)ethyl]-1-[(1-methylindol-3-yl)methyl]piperidine-4-carboxamide
CID 53036166
N-[(1S)-1-(4-ethylphenyl)ethyl]-1-[(1-methylindol-3-yl)methyl]piperidine-4-carboxamide
CID 95056572
1-[1-[(2-methylquinolin-4-yl)methyl]piperidin-4-yl]ethanamine;dihydrochloride
CID 119920625
1-[2-(1-methylindol-3-yl)ethyl]piperidin-4-amine;hydrate
CID 21128537
1-[1-(naphthalen-1-ylmethyl)pyrrolidin-3-yl]ethanamine
CID 112630234

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]ethanamine?
The IUPAC name of 1-[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]ethanamine (CID 63597240) is 1-[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]ethanamine.
What is the SMILES notation for 1-[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]ethanamine?
The canonical SMILES for 1-[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]ethanamine is CC(N)C1CCN(Cc2cn(C)c3ccccc23)CC1.
What is the InChIKey of 1-[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]ethanamine?
The InChIKey is VZBCLJPBOPFRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-13(18)14-7-9-20(10-8-14)12-15-11-19(2)17-6-4-3-5-16(15)17/h3-6,11,13-14H,7-10,12,18H2,1-2H3.
What are the key properties of 1-[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]ethanamine?
1-[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]ethanamine has a molecular weight of 271.41 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]ethanamine is sourced from PubChem (CID 63597240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).