1-[3-chloro-4-(3-methylpiperidin-1-yl)phenyl]propan-2-amine

C15H23ClN2 — CID 81165910

IUPAC1-[3-chloro-4-(3-methylpiperidin-1-yl)phenyl]propan-2-amine
SMILESCC(N)Cc1ccc(N2CCCC(C)C2)c(Cl)c1
InChIInChI=1S/C15H23ClN2/c1-11-4-3-7-18(10-11)15-6-5-13(8-12(2)17)9-14(15)16/h5-6,9,11-12H,3-4,7-8,10,17H2,1-2H3
InChIKeyDZLOOQNBESQMDA-UHFFFAOYSA-N
MW266.82 g/mol
LogP3.47
Rot. Bonds3

About 1-[3-chloro-4-(3-methylpiperidin-1-yl)phenyl]propan-2-amine

1-[3-chloro-4-(3-methylpiperidin-1-yl)phenyl]propan-2-amine (PubChem CID 81165910) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is 1-[3-chloro-4-(3-methylpiperidin-1-yl)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3-chloro-4-(3-methylpiperidin-1-yl)phenyl]propan-2-amine
PubChem CID81165910
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC Name1-[3-chloro-4-(3-methylpiperidin-1-yl)phenyl]propan-2-amine
SMILESCC(N)Cc1ccc(N2CCCC(C)C2)c(Cl)c1
InChIInChI=1S/C15H23ClN2/c1-11-4-3-7-18(10-11)15-6-5-13(8-12(2)17)9-14(15)16/h5-6,9,11-12H,3-4,7-8,10,17H2,1-2H3
InChIKeyDZLOOQNBESQMDA-UHFFFAOYSA-N
XLogP3.47
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 ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[3-chloro-4-(3-methylpiperidin-1-yl)phenyl]ethanamine
CID 78935727
1-[4-(3-methylpiperidin-1-yl)phenyl]propan-2-amine
CID 63786246
1-[4-(2-aminopropyl)-2-chlorophenyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81469659
1-[2-(3-methylpiperidin-1-yl)phenyl]propan-2-amine
CID 63785750
1-[2-chloro-4-(chloromethyl)phenyl]-3-methylpyrrolidine
CID 81151434
1-[3-chloro-4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]propan-2-amine
CID 81159332
1-[3-chloro-4-(4-propylpiperazin-1-yl)phenyl]propan-2-amine
CID 81165760
1-[3-chloro-4-(4-methylazepan-1-yl)phenyl]-N-methylmethanamine
CID 81149690
1-[3-chloro-4-(2,2-dimethylpyrrolidin-1-yl)phenyl]propan-2-amine
CID 81166004
1-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-chlorophenyl]butan-2-amine
CID 81159815
1-[3-chloro-4-(4-methylazepan-1-yl)phenyl]ethanamine
CID 63623731
1-[3-chloro-4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethanone
CID 94830564

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-(3-methylpiperidin-1-yl)phenyl]propan-2-amine?
The IUPAC name of 1-[3-chloro-4-(3-methylpiperidin-1-yl)phenyl]propan-2-amine (CID 81165910) is 1-[3-chloro-4-(3-methylpiperidin-1-yl)phenyl]propan-2-amine.
What is the SMILES notation for 1-[3-chloro-4-(3-methylpiperidin-1-yl)phenyl]propan-2-amine?
The canonical SMILES for 1-[3-chloro-4-(3-methylpiperidin-1-yl)phenyl]propan-2-amine is CC(N)Cc1ccc(N2CCCC(C)C2)c(Cl)c1.
What is the InChIKey of 1-[3-chloro-4-(3-methylpiperidin-1-yl)phenyl]propan-2-amine?
The InChIKey is DZLOOQNBESQMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-11-4-3-7-18(10-11)15-6-5-13(8-12(2)17)9-14(15)16/h5-6,9,11-12H,3-4,7-8,10,17H2,1-2H3.
What are the key properties of 1-[3-chloro-4-(3-methylpiperidin-1-yl)phenyl]propan-2-amine?
1-[3-chloro-4-(3-methylpiperidin-1-yl)phenyl]propan-2-amine has a molecular weight of 266.82 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-(3-methylpiperidin-1-yl)phenyl]propan-2-amine is sourced from PubChem (CID 81165910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).