[5-chloro-2-(3-methylpiperidin-1-yl)phenyl]methanamine

C13H19ClN2 — CID 10586057

IUPAC[5-chloro-2-(3-methylpiperidin-1-yl)phenyl]methanamine
SMILESCC1CCCN(c2ccc(Cl)cc2CN)C1
InChIInChI=1S/C13H19ClN2/c1-10-3-2-6-16(9-10)13-5-4-12(14)7-11(13)8-15/h4-5,7,10H,2-3,6,8-9,15H2,1H3
InChIKeyRYNRXFFQOYPTNO-UHFFFAOYSA-N
MW238.76 g/mol
LogP3.04
Rot. Bonds2

About [5-chloro-2-(3-methylpiperidin-1-yl)phenyl]methanamine

[5-chloro-2-(3-methylpiperidin-1-yl)phenyl]methanamine (PubChem CID 10586057) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is [5-chloro-2-(3-methylpiperidin-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[5-chloro-2-(3-methylpiperidin-1-yl)phenyl]methanamine
PubChem CID10586057
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC Name[5-chloro-2-(3-methylpiperidin-1-yl)phenyl]methanamine
SMILESCC1CCCN(c2ccc(Cl)cc2CN)C1
InChIInChI=1S/C13H19ClN2/c1-10-3-2-6-16(9-10)13-5-4-12(14)7-11(13)8-15/h4-5,7,10H,2-3,6,8-9,15H2,1H3
InChIKeyRYNRXFFQOYPTNO-UHFFFAOYSA-N
XLogP3.04
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[5-chloro-2-[3-(methoxymethyl)piperidin-1-yl]phenyl]methanamine
CID 106585917
[2-(azepan-1-yl)-5-chlorophenyl]methanamine
CID 62493124
1-[4-chloro-2-(chloromethyl)phenyl]-3-methylpyrrolidine
CID 114846443
[5-chloro-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]methanamine
CID 63171616
1-[4-chloro-2-(chloromethyl)phenyl]-4-methylazepane
CID 114846684
[1-[2-(aminomethyl)-4-chlorophenyl]pyrrolidin-3-yl]methanol
CID 112624254
N-[[5-chloro-2-(4-methylazepan-1-yl)phenyl]methyl]cyclopropanamine
CID 114851315
N-[[4-chloro-2-(3-methylpiperidin-1-yl)phenyl]methyl]propan-1-amine
CID 114847307
1-[2-(aminomethyl)-4-chlorophenyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81460139
[1-[2-(aminomethyl)-5-chlorophenyl]piperidin-3-yl]methanol
CID 63082651
4-chloro-2-(3-methylpiperidin-1-yl)benzenecarboximidamide
CID 63094021
3-fluoro-4-[(3S)-3-methylpiperidin-1-yl]aniline
CID 28664912

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(3-methylpiperidin-1-yl)phenyl]methanamine?
The IUPAC name of [5-chloro-2-(3-methylpiperidin-1-yl)phenyl]methanamine (CID 10586057) is [5-chloro-2-(3-methylpiperidin-1-yl)phenyl]methanamine.
What is the SMILES notation for [5-chloro-2-(3-methylpiperidin-1-yl)phenyl]methanamine?
The canonical SMILES for [5-chloro-2-(3-methylpiperidin-1-yl)phenyl]methanamine is CC1CCCN(c2ccc(Cl)cc2CN)C1.
What is the InChIKey of [5-chloro-2-(3-methylpiperidin-1-yl)phenyl]methanamine?
The InChIKey is RYNRXFFQOYPTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2/c1-10-3-2-6-16(9-10)13-5-4-12(14)7-11(13)8-15/h4-5,7,10H,2-3,6,8-9,15H2,1H3.
What are the key properties of [5-chloro-2-(3-methylpiperidin-1-yl)phenyl]methanamine?
[5-chloro-2-(3-methylpiperidin-1-yl)phenyl]methanamine has a molecular weight of 238.76 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(3-methylpiperidin-1-yl)phenyl]methanamine is sourced from PubChem (CID 10586057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).