[3-chloro-4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methanamine

C15H23ClN2 — CID 102662930

IUPAC[3-chloro-4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methanamine
SMILESCC1(C)CCN(Cc2ccc(CN)cc2Cl)CC1
InChIInChI=1S/C15H23ClN2/c1-15(2)5-7-18(8-6-15)11-13-4-3-12(10-17)9-14(13)16/h3-4,9H,5-8,10-11,17H2,1-2H3
InChIKeyXHOWMBYIDAAUJJ-UHFFFAOYSA-N
MW266.82 g/mol
LogP3.42
Rot. Bonds3

About [3-chloro-4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methanamine

[3-chloro-4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methanamine (PubChem CID 102662930) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is [3-chloro-4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[3-chloro-4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methanamine
PubChem CID102662930
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC Name[3-chloro-4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methanamine
SMILESCC1(C)CCN(Cc2ccc(CN)cc2Cl)CC1
InChIInChI=1S/C15H23ClN2/c1-15(2)5-7-18(8-6-15)11-13-4-3-12(10-17)9-14(13)16/h3-4,9H,5-8,10-11,17H2,1-2H3
InChIKeyXHOWMBYIDAAUJJ-UHFFFAOYSA-N
XLogP3.42
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-chloro-4-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]phenyl]methanamine
CID 107453592
[3-chloro-4-(thiomorpholin-4-ylmethyl)phenyl]methanamine
CID 102662746
[3-chloro-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methanamine
CID 102662772
[3-chloro-4-[(4-cyclopentylpiperazin-1-yl)methyl]phenyl]methanamine
CID 102662919
1-[[4-(aminomethyl)-2-chlorophenyl]methyl]piperidine-4-carboxamide
CID 102662708
2,6-dichloro-4-[(4,4-dimethylpiperidin-1-yl)methyl]aniline
CID 82841136
[3-chloro-4-[(2,2,6-trimethylmorpholin-4-yl)methyl]phenyl]methanamine
CID 102662894
[3-chloro-4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methanamine
CID 102662791
[3-chloro-4-[(2-methylthiomorpholin-4-yl)methyl]phenyl]methanamine
CID 102663098
4-chloro-2-[(4,4-dimethylpiperidin-1-yl)methyl]aniline
CID 79582875
4-[[4-(aminomethyl)-2-chlorophenyl]methyl]-1,3,3-trimethylpiperazin-2-one
CID 102663048
4-[[4-(aminomethyl)-2-chlorophenyl]methyl]-3,3-dimethylpiperazin-2-one
CID 102662978

Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methanamine?
The IUPAC name of [3-chloro-4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methanamine (CID 102662930) is [3-chloro-4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methanamine.
What is the SMILES notation for [3-chloro-4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methanamine?
The canonical SMILES for [3-chloro-4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methanamine is CC1(C)CCN(Cc2ccc(CN)cc2Cl)CC1.
What is the InChIKey of [3-chloro-4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methanamine?
The InChIKey is XHOWMBYIDAAUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-15(2)5-7-18(8-6-15)11-13-4-3-12(10-17)9-14(13)16/h3-4,9H,5-8,10-11,17H2,1-2H3.
What are the key properties of [3-chloro-4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methanamine?
[3-chloro-4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methanamine has a molecular weight of 266.82 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methanamine is sourced from PubChem (CID 102662930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).