3-[(4-chlorophenyl)methyl]piperidin-3-amine

C12H17ClN2 — CID 146584031

IUPAC3-[(4-chlorophenyl)methyl]piperidin-3-amine
SMILESNC1(Cc2ccc(Cl)cc2)CCCNC1
InChIInChI=1S/C12H17ClN2/c13-11-4-2-10(3-5-11)8-12(14)6-1-7-15-9-12/h2-5,15H,1,6-9,14H2
InChIKeyYBRAPQUSIFRTHP-UHFFFAOYSA-N
MW224.74 g/mol
LogP1.96
Rot. Bonds2

About 3-[(4-chlorophenyl)methyl]piperidin-3-amine

3-[(4-chlorophenyl)methyl]piperidin-3-amine (PubChem CID 146584031) has the molecular formula C12H17ClN2 and a molecular weight of 224.74 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methyl]piperidin-3-amine.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methyl]piperidin-3-amine
PubChem CID146584031
Molecular FormulaC12H17ClN2
Molecular Weight224.74 g/mol
Exact Mass224.11
IUPAC Name3-[(4-chlorophenyl)methyl]piperidin-3-amine
SMILESNC1(Cc2ccc(Cl)cc2)CCCNC1
InChIInChI=1S/C12H17ClN2/c13-11-4-2-10(3-5-11)8-12(14)6-1-7-15-9-12/h2-5,15H,1,6-9,14H2
InChIKeyYBRAPQUSIFRTHP-UHFFFAOYSA-N
XLogP1.96
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.74
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-chlorophenyl)methyl]piperidin-4-amine;hydrochloride
CID 66873031
3-[(4-chlorophenyl)methyl]-3-fluoropyrrolidine
CID 83821387
1-[(4-bromophenyl)methyl]cyclopentan-1-amine
CID 60798345
3-[(4-chlorophenyl)methyl]oxolan-3-amine
CID 65019655
1-[(4-chlorophenyl)methyl]cyclohex-3-en-1-amine
CID 70514482
1-[(4-fluorophenyl)methyl]cyclobutan-1-amine;hydrochloride
CID 86277096
1-[(4-bromophenyl)methyl]cyclooctan-1-amine
CID 80603993
(5S)-3-[(4-chlorophenyl)methyl]-1,3,9-triazaspiro[4.5]decane-2,4-dione
CID 124604264
2-(4-chlorophenyl)-1-(3-methylpiperidin-3-yl)ethanone
CID 116569296
1-(4-chlorophenyl)-N-methyl-N-[(3-methylpiperidin-3-yl)methyl]methanamine
CID 55165098
1-[[1-(bromomethyl)cyclopentyl]methyl]-4-chlorobenzene
CID 66049339
1-[(4-chlorophenyl)methyl]-3-methylcyclopentan-1-amine
CID 64516003

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methyl]piperidin-3-amine?
The IUPAC name of 3-[(4-chlorophenyl)methyl]piperidin-3-amine (CID 146584031) is 3-[(4-chlorophenyl)methyl]piperidin-3-amine.
What is the SMILES notation for 3-[(4-chlorophenyl)methyl]piperidin-3-amine?
The canonical SMILES for 3-[(4-chlorophenyl)methyl]piperidin-3-amine is NC1(Cc2ccc(Cl)cc2)CCCNC1.
What is the InChIKey of 3-[(4-chlorophenyl)methyl]piperidin-3-amine?
The InChIKey is YBRAPQUSIFRTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2/c13-11-4-2-10(3-5-11)8-12(14)6-1-7-15-9-12/h2-5,15H,1,6-9,14H2.
What are the key properties of 3-[(4-chlorophenyl)methyl]piperidin-3-amine?
3-[(4-chlorophenyl)methyl]piperidin-3-amine has a molecular weight of 224.74 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methyl]piperidin-3-amine is sourced from PubChem (CID 146584031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).