[6-chloro-1-[2-(1-methylpiperidin-2-yl)ethyl]indol-3-yl]methanamine

C17H24ClN3 — CID 107913109

IUPAC[6-chloro-1-[2-(1-methylpiperidin-2-yl)ethyl]indol-3-yl]methanamine
SMILESCN1CCCCC1CCn1cc(CN)c2ccc(Cl)cc21
InChIInChI=1S/C17H24ClN3/c1-20-8-3-2-4-15(20)7-9-21-12-13(11-19)16-6-5-14(18)10-17(16)21/h5-6,10,12,15H,2-4,7-9,11,19H2,1H3
InChIKeyQWNVXZUXVVHUCU-UHFFFAOYSA-N
MW305.85 g/mol
LogP3.63
Rot. Bonds4

About [6-chloro-1-[2-(1-methylpiperidin-2-yl)ethyl]indol-3-yl]methanamine

[6-chloro-1-[2-(1-methylpiperidin-2-yl)ethyl]indol-3-yl]methanamine (PubChem CID 107913109) has the molecular formula C17H24ClN3 and a molecular weight of 305.85 g/mol. Its IUPAC name is [6-chloro-1-[2-(1-methylpiperidin-2-yl)ethyl]indol-3-yl]methanamine.

Molecular Properties

Compound Name[6-chloro-1-[2-(1-methylpiperidin-2-yl)ethyl]indol-3-yl]methanamine
PubChem CID107913109
Molecular FormulaC17H24ClN3
Molecular Weight305.85 g/mol
Exact Mass305.17
IUPAC Name[6-chloro-1-[2-(1-methylpiperidin-2-yl)ethyl]indol-3-yl]methanamine
SMILESCN1CCCCC1CCn1cc(CN)c2ccc(Cl)cc21
InChIInChI=1S/C17H24ClN3/c1-20-8-3-2-4-15(20)7-9-21-12-13(11-19)16-6-5-14(18)10-17(16)21/h5-6,10,12,15H,2-4,7-9,11,19H2,1H3
InChIKeyQWNVXZUXVVHUCU-UHFFFAOYSA-N
XLogP3.63
TPSA34.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.85
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-1-[2-(1-methylpiperidin-2-yl)ethyl]indole
CID 107914201
[6-chloro-1-(2-ethylsulfanylethyl)indol-3-yl]methanamine
CID 113473972
6-[3-(aminomethyl)-6-chloroindol-1-yl]hexan-1-ol
CID 107705897
[1-[2-(1-methylpiperidin-2-yl)ethyl]imidazol-4-yl]methanamine
CID 107913121
N-[(6-chloro-1-ethylindol-3-yl)methyl]cyclopentanamine
CID 117178828
1-[2-(1-methylpiperidin-2-yl)ethyl]indole-3-carboxylic acid
CID 67255296
6-chloro-1-ethyl-3-(piperidin-1-ylmethyl)indole
CID 117178863
3-(3-butyl-6-chloroindol-1-yl)propan-1-amine
CID 83948692
4-chloro-N-[2-(1-methylpiperidin-2-yl)ethyl]aniline
CID 62413919
4-chloro-2-fluoro-N-[(1-methylpiperidin-2-yl)methyl]aniline
CID 62658635
2-(1-methylpiperidin-2-yl)ethyl 2-amino-4-chlorobenzoate
CID 107913336
2-[1-[2-(1-methylpiperidin-2-yl)ethyl]triazol-4-yl]ethanamine
CID 116642161

Frequently Asked Questions

What is the IUPAC name of [6-chloro-1-[2-(1-methylpiperidin-2-yl)ethyl]indol-3-yl]methanamine?
The IUPAC name of [6-chloro-1-[2-(1-methylpiperidin-2-yl)ethyl]indol-3-yl]methanamine (CID 107913109) is [6-chloro-1-[2-(1-methylpiperidin-2-yl)ethyl]indol-3-yl]methanamine.
What is the SMILES notation for [6-chloro-1-[2-(1-methylpiperidin-2-yl)ethyl]indol-3-yl]methanamine?
The canonical SMILES for [6-chloro-1-[2-(1-methylpiperidin-2-yl)ethyl]indol-3-yl]methanamine is CN1CCCCC1CCn1cc(CN)c2ccc(Cl)cc21.
What is the InChIKey of [6-chloro-1-[2-(1-methylpiperidin-2-yl)ethyl]indol-3-yl]methanamine?
The InChIKey is QWNVXZUXVVHUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3/c1-20-8-3-2-4-15(20)7-9-21-12-13(11-19)16-6-5-14(18)10-17(16)21/h5-6,10,12,15H,2-4,7-9,11,19H2,1H3.
What are the key properties of [6-chloro-1-[2-(1-methylpiperidin-2-yl)ethyl]indol-3-yl]methanamine?
[6-chloro-1-[2-(1-methylpiperidin-2-yl)ethyl]indol-3-yl]methanamine has a molecular weight of 305.85 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-1-[2-(1-methylpiperidin-2-yl)ethyl]indol-3-yl]methanamine is sourced from PubChem (CID 107913109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).