[4-(1H-indol-5-yl)-6-methylpiperidin-3-yl]methanamine

C15H21N3 — CID 82622283

IUPAC[4-(1H-indol-5-yl)-6-methylpiperidin-3-yl]methanamine
SMILESCC1CC(c2ccc3[nH]ccc3c2)C(CN)CN1
InChIInChI=1S/C15H21N3/c1-10-6-14(13(8-16)9-18-10)11-2-3-15-12(7-11)4-5-17-15/h2-5,7,10,13-14,17-18H,6,8-9,16H2,1H3
InChIKeyPQWLQORLSNWGCJ-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.21
Rot. Bonds2

About [4-(1H-indol-5-yl)-6-methylpiperidin-3-yl]methanamine

[4-(1H-indol-5-yl)-6-methylpiperidin-3-yl]methanamine (PubChem CID 82622283) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is [4-(1H-indol-5-yl)-6-methylpiperidin-3-yl]methanamine.

Molecular Properties

Compound Name[4-(1H-indol-5-yl)-6-methylpiperidin-3-yl]methanamine
PubChem CID82622283
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name[4-(1H-indol-5-yl)-6-methylpiperidin-3-yl]methanamine
SMILESCC1CC(c2ccc3[nH]ccc3c2)C(CN)CN1
InChIInChI=1S/C15H21N3/c1-10-6-14(13(8-16)9-18-10)11-2-3-15-12(7-11)4-5-17-15/h2-5,7,10,13-14,17-18H,6,8-9,16H2,1H3
InChIKeyPQWLQORLSNWGCJ-UHFFFAOYSA-N
XLogP2.21
TPSA53.84 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(2,3-dihydro-1H-inden-5-yl)-6-methylpiperidin-3-yl]methanamine
CID 82622553
[4-(1H-indol-5-yl)-1-methylpiperidin-3-yl]methanamine
CID 82622288
5-(4-methylcyclohexyl)-1H-indole
CID 69051193
(2-naphthalen-2-ylcyclopropyl)methanamine;hydrochloride
CID 68926193
4-(1H-indol-5-yl)-6-oxopiperidine-3-carboxylic acid
CID 82623597
2-(1H-indol-5-yl)-2-methylpropan-1-amine
CID 116996128
ethanamine;5-fluoro-1H-indole
CID 175177872
N-(1H-indol-5-ylmethyl)-3,5-dimethylaniline;hydrochloride
CID 17221817
N-(1H-indol-5-ylmethyl)-2,2-dimethylcyclohexan-1-amine
CID 102911435
5-[(2S)-1-methylpiperidin-2-yl]-1H-indole
CID 95732626
5-[(4-methylpiperidin-1-yl)methyl]-1H-indole
CID 90949338
2-(1H-indol-5-yl)-N-methylethanamine
CID 82374641

Frequently Asked Questions

What is the IUPAC name of [4-(1H-indol-5-yl)-6-methylpiperidin-3-yl]methanamine?
The IUPAC name of [4-(1H-indol-5-yl)-6-methylpiperidin-3-yl]methanamine (CID 82622283) is [4-(1H-indol-5-yl)-6-methylpiperidin-3-yl]methanamine.
What is the SMILES notation for [4-(1H-indol-5-yl)-6-methylpiperidin-3-yl]methanamine?
The canonical SMILES for [4-(1H-indol-5-yl)-6-methylpiperidin-3-yl]methanamine is CC1CC(c2ccc3[nH]ccc3c2)C(CN)CN1.
What is the InChIKey of [4-(1H-indol-5-yl)-6-methylpiperidin-3-yl]methanamine?
The InChIKey is PQWLQORLSNWGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-10-6-14(13(8-16)9-18-10)11-2-3-15-12(7-11)4-5-17-15/h2-5,7,10,13-14,17-18H,6,8-9,16H2,1H3.
What are the key properties of [4-(1H-indol-5-yl)-6-methylpiperidin-3-yl]methanamine?
[4-(1H-indol-5-yl)-6-methylpiperidin-3-yl]methanamine has a molecular weight of 243.35 g/mol, XLogP of 2.21, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-indol-5-yl)-6-methylpiperidin-3-yl]methanamine is sourced from PubChem (CID 82622283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).