(3R)-1-[(3-chloro-4-fluorophenyl)methyl]piperidin-3-amine

C12H16ClFN2 — CID 24904788

IUPAC(3R)-1-[(3-chloro-4-fluorophenyl)methyl]piperidin-3-amine
SMILESN[C@@H]1CCCN(Cc2ccc(F)c(Cl)c2)C1
InChIInChI=1S/C12H16ClFN2/c13-11-6-9(3-4-12(11)14)7-16-5-1-2-10(15)8-16/h3-4,6,10H,1-2,5,7-8,15H2/t10-/m1/s1
InChIKeyHRMCIVGHTOIGPU-SNVBAGLBSA-N
MW242.72 g/mol
LogP2.40
Rot. Bonds2

About (3R)-1-[(3-chloro-4-fluorophenyl)methyl]piperidin-3-amine

(3R)-1-[(3-chloro-4-fluorophenyl)methyl]piperidin-3-amine (PubChem CID 24904788) has the molecular formula C12H16ClFN2 and a molecular weight of 242.72 g/mol. Its IUPAC name is (3R)-1-[(3-chloro-4-fluorophenyl)methyl]piperidin-3-amine.

Molecular Properties

Compound Name(3R)-1-[(3-chloro-4-fluorophenyl)methyl]piperidin-3-amine
PubChem CID24904788
Molecular FormulaC12H16ClFN2
Molecular Weight242.72 g/mol
Exact Mass242.10
IUPAC Name(3R)-1-[(3-chloro-4-fluorophenyl)methyl]piperidin-3-amine
SMILESN[C@@H]1CCCN(Cc2ccc(F)c(Cl)c2)C1
InChIInChI=1S/C12H16ClFN2/c13-11-6-9(3-4-12(11)14)7-16-5-1-2-10(15)8-16/h3-4,6,10H,1-2,5,7-8,15H2/t10-/m1/s1
InChIKeyHRMCIVGHTOIGPU-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

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Related Compounds

(3R)-1-[(4-bromo-3-chlorophenyl)methyl]piperidin-3-amine;hydrochloride
CID 120846008
1-[(3-chloro-4-fluorophenyl)methyl]azetidine
CID 126990716
N-[[1-[(3-chloro-4-fluorophenyl)methyl]piperidin-3-yl]methyl]cyclopropanamine
CID 103038269
1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]piperidin-3-amine;hydrochloride
CID 119034117
1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-amine
CID 11382802
3-[1-[(3-chloro-4-fluorophenyl)methyl]piperidin-3-yl]propanoic acid
CID 81155931
(3R)-1-[(3-fluorophenyl)methyl]piperidin-3-amine
CID 24904616
(3R)-1-[(2-chloro-5-fluorophenyl)methyl]piperidin-3-amine;hydrochloride
CID 120967115
(3R)-1-[(4-phenylphenyl)methyl]piperidin-3-amine
CID 102977250
4-[[(3S)-3-aminopiperidin-1-yl]methyl]benzonitrile
CID 24904949
(3R)-1-[[4-(difluoromethoxy)phenyl]methyl]piperidin-3-amine;hydrochloride
CID 167713987
5-[[(3R)-3-aminopyrrolidin-1-yl]methyl]-2-fluorobenzonitrile
CID 107883133

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(3-chloro-4-fluorophenyl)methyl]piperidin-3-amine?
The IUPAC name of (3R)-1-[(3-chloro-4-fluorophenyl)methyl]piperidin-3-amine (CID 24904788) is (3R)-1-[(3-chloro-4-fluorophenyl)methyl]piperidin-3-amine.
What is the SMILES notation for (3R)-1-[(3-chloro-4-fluorophenyl)methyl]piperidin-3-amine?
The canonical SMILES for (3R)-1-[(3-chloro-4-fluorophenyl)methyl]piperidin-3-amine is N[C@@H]1CCCN(Cc2ccc(F)c(Cl)c2)C1.
What is the InChIKey of (3R)-1-[(3-chloro-4-fluorophenyl)methyl]piperidin-3-amine?
The InChIKey is HRMCIVGHTOIGPU-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H16ClFN2/c13-11-6-9(3-4-12(11)14)7-16-5-1-2-10(15)8-16/h3-4,6,10H,1-2,5,7-8,15H2/t10-/m1/s1.
What are the key properties of (3R)-1-[(3-chloro-4-fluorophenyl)methyl]piperidin-3-amine?
(3R)-1-[(3-chloro-4-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-4-fluorophenyl)methyl]piperidin-3-amine is sourced from PubChem (CID 24904788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).