(3R)-1-[(3-chloro-2-fluorophenyl)methyl]piperidin-3-amine

C12H16ClFN2 — CID 24904568

IUPAC(3R)-1-[(3-chloro-2-fluorophenyl)methyl]piperidin-3-amine
SMILESN[C@@H]1CCCN(Cc2cccc(Cl)c2F)C1
InChIInChI=1S/C12H16ClFN2/c13-11-5-1-3-9(12(11)14)7-16-6-2-4-10(15)8-16/h1,3,5,10H,2,4,6-8,15H2/t10-/m1/s1
InChIKeyOEWOWBWVURBHDG-SNVBAGLBSA-N
MW242.72 g/mol
LogP2.40
Rot. Bonds2

About (3R)-1-[(3-chloro-2-fluorophenyl)methyl]piperidin-3-amine

(3R)-1-[(3-chloro-2-fluorophenyl)methyl]piperidin-3-amine (PubChem CID 24904568) has the molecular formula C12H16ClFN2 and a molecular weight of 242.72 g/mol. Its IUPAC name is (3R)-1-[(3-chloro-2-fluorophenyl)methyl]piperidin-3-amine.

Molecular Properties

Compound Name(3R)-1-[(3-chloro-2-fluorophenyl)methyl]piperidin-3-amine
PubChem CID24904568
Molecular FormulaC12H16ClFN2
Molecular Weight242.72 g/mol
Exact Mass242.10
IUPAC Name(3R)-1-[(3-chloro-2-fluorophenyl)methyl]piperidin-3-amine
SMILESN[C@@H]1CCCN(Cc2cccc(Cl)c2F)C1
InChIInChI=1S/C12H16ClFN2/c13-11-5-1-3-9(12(11)14)7-16-6-2-4-10(15)8-16/h1,3,5,10H,2,4,6-8,15H2/t10-/m1/s1
InChIKeyOEWOWBWVURBHDG-SNVBAGLBSA-N
XLogP2.40
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.72
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3R)-1-[(3-chloro-2-fluorophenyl)methyl]piperidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(3R)-1-[(3-chloro-2-fluorophenyl)methyl]piperidin-3-yl]propanamide
CID 97157958
3-(bromomethyl)-1-[(3-chloro-2-fluorophenyl)methyl]pyrrolidine
CID 102859873
(3R)-1-[(2-chloro-5-fluorophenyl)methyl]piperidin-3-amine;hydrochloride
CID 120967115
2-[[(3R)-3-aminopiperidin-1-yl]methyl]phenol
CID 24904442
3-(2-bromoethyl)-1-[(3-chloro-2-fluorophenyl)methyl]pyrrolidine
CID 102859985
1-[(3-chloro-2-fluorophenyl)methyl]-4-(chloromethyl)piperidine
CID 102859725
(3R)-1-[(2-chlorothiophen-3-yl)methyl]piperidin-3-amine;hydrochloride
CID 120845906
1-[(2-chloro-6-methylphenyl)methyl]piperidin-3-amine
CID 24905023
(3S)-1-[(2-chlorophenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119933654
1-[(2-chlorophenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119917385
2-[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-3-yl]-2-methylpropanoic acid
CID 114489126
(3S)-1-[(2-bromophenyl)methyl]piperidin-3-amine
CID 24904438

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(3-chloro-2-fluorophenyl)methyl]piperidin-3-amine?
The IUPAC name of (3R)-1-[(3-chloro-2-fluorophenyl)methyl]piperidin-3-amine (CID 24904568) is (3R)-1-[(3-chloro-2-fluorophenyl)methyl]piperidin-3-amine.
What is the SMILES notation for (3R)-1-[(3-chloro-2-fluorophenyl)methyl]piperidin-3-amine?
The canonical SMILES for (3R)-1-[(3-chloro-2-fluorophenyl)methyl]piperidin-3-amine is N[C@@H]1CCCN(Cc2cccc(Cl)c2F)C1.
What is the InChIKey of (3R)-1-[(3-chloro-2-fluorophenyl)methyl]piperidin-3-amine?
The InChIKey is OEWOWBWVURBHDG-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H16ClFN2/c13-11-5-1-3-9(12(11)14)7-16-6-2-4-10(15)8-16/h1,3,5,10H,2,4,6-8,15H2/t10-/m1/s1.
What are the key properties of (3R)-1-[(3-chloro-2-fluorophenyl)methyl]piperidin-3-amine?
(3R)-1-[(3-chloro-2-fluorophenyl)methyl]piperidin-3-amine has a molecular weight of 242.72 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(3-chloro-2-fluorophenyl)methyl]piperidin-3-amine is sourced from PubChem (CID 24904568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).