[2-(piperidin-1-ylmethyl)-1-propan-2-ylindol-5-yl]methanamine

C18H27N3 — CID 117177017

IUPAC[2-(piperidin-1-ylmethyl)-1-propan-2-ylindol-5-yl]methanamine
SMILESCC(C)n1c(CN2CCCCC2)cc2cc(CN)ccc21
InChIInChI=1S/C18H27N3/c1-14(2)21-17(13-20-8-4-3-5-9-20)11-16-10-15(12-19)6-7-18(16)21/h6-7,10-11,14H,3-5,8-9,12-13,19H2,1-2H3
InChIKeyLBRZXUUEWVYPTH-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.67
Rot. Bonds4

About [2-(piperidin-1-ylmethyl)-1-propan-2-ylindol-5-yl]methanamine

[2-(piperidin-1-ylmethyl)-1-propan-2-ylindol-5-yl]methanamine (PubChem CID 117177017) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is [2-(piperidin-1-ylmethyl)-1-propan-2-ylindol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(piperidin-1-ylmethyl)-1-propan-2-ylindol-5-yl]methanamine
PubChem CID117177017
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name[2-(piperidin-1-ylmethyl)-1-propan-2-ylindol-5-yl]methanamine
SMILESCC(C)n1c(CN2CCCCC2)cc2cc(CN)ccc21
InChIInChI=1S/C18H27N3/c1-14(2)21-17(13-20-8-4-3-5-9-20)11-16-10-15(12-19)6-7-18(16)21/h6-7,10-11,14H,3-5,8-9,12-13,19H2,1-2H3
InChIKeyLBRZXUUEWVYPTH-UHFFFAOYSA-N
XLogP3.67
TPSA34.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(piperidin-1-ylmethyl)-1-propan-2-ylindol-5-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-fluoro-2-(piperidin-1-ylmethyl)-1-propan-2-ylindole
CID 117177142
5-chloro-2-(piperidin-1-ylmethyl)-1-propan-2-ylindole
CID 117177143
[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]indol-5-yl]methanamine
CID 117176518
5-fluoro-2-(piperazin-1-ylmethyl)-1-propan-2-ylindole
CID 117177164
[1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]indol-5-yl]methanamine
CID 117177024
[1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)indol-5-yl]methanamine
CID 117175354
1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)indol-7-amine
CID 117184052
4-methyl-2-(piperidin-1-ylmethyl)-1-propan-2-ylindole
CID 117184903
5-(piperidin-1-ylmethyl)-1-propan-2-ylimidazol-2-amine
CID 117192935
2-methyl-5-(piperazin-1-ylmethyl)-1-propan-2-ylindole
CID 117204577
[3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]methanamine
CID 114478531
N-[[6-(aminomethyl)-1-propan-2-ylindol-2-yl]methyl]cyclopentanamine
CID 117180455

Frequently Asked Questions

What is the IUPAC name of [2-(piperidin-1-ylmethyl)-1-propan-2-ylindol-5-yl]methanamine?
The IUPAC name of [2-(piperidin-1-ylmethyl)-1-propan-2-ylindol-5-yl]methanamine (CID 117177017) is [2-(piperidin-1-ylmethyl)-1-propan-2-ylindol-5-yl]methanamine.
What is the SMILES notation for [2-(piperidin-1-ylmethyl)-1-propan-2-ylindol-5-yl]methanamine?
The canonical SMILES for [2-(piperidin-1-ylmethyl)-1-propan-2-ylindol-5-yl]methanamine is CC(C)n1c(CN2CCCCC2)cc2cc(CN)ccc21.
What is the InChIKey of [2-(piperidin-1-ylmethyl)-1-propan-2-ylindol-5-yl]methanamine?
The InChIKey is LBRZXUUEWVYPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-14(2)21-17(13-20-8-4-3-5-9-20)11-16-10-15(12-19)6-7-18(16)21/h6-7,10-11,14H,3-5,8-9,12-13,19H2,1-2H3.
What are the key properties of [2-(piperidin-1-ylmethyl)-1-propan-2-ylindol-5-yl]methanamine?
[2-(piperidin-1-ylmethyl)-1-propan-2-ylindol-5-yl]methanamine has a molecular weight of 285.44 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(piperidin-1-ylmethyl)-1-propan-2-ylindol-5-yl]methanamine is sourced from PubChem (CID 117177017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).