(3-chloro-4-fluorophenyl)-piperidin-3-ylmethanamine

C12H16ClFN2 — CID 116935836

IUPAC(3-chloro-4-fluorophenyl)-piperidin-3-ylmethanamine
SMILESNC(c1ccc(F)c(Cl)c1)C1CCCNC1
InChIInChI=1S/C12H16ClFN2/c13-10-6-8(3-4-11(10)14)12(15)9-2-1-5-16-7-9/h3-4,6,9,12,16H,1-2,5,7,15H2
InChIKeyBQFTXDJGUZHXFP-UHFFFAOYSA-N
MW242.72 g/mol
LogP2.48
Rot. Bonds2

About (3-chloro-4-fluorophenyl)-piperidin-3-ylmethanamine

(3-chloro-4-fluorophenyl)-piperidin-3-ylmethanamine (PubChem CID 116935836) has the molecular formula C12H16ClFN2 and a molecular weight of 242.72 g/mol. Its IUPAC name is (3-chloro-4-fluorophenyl)-piperidin-3-ylmethanamine.

Molecular Properties

Compound Name(3-chloro-4-fluorophenyl)-piperidin-3-ylmethanamine
PubChem CID116935836
Molecular FormulaC12H16ClFN2
Molecular Weight242.72 g/mol
Exact Mass242.10
IUPAC Name(3-chloro-4-fluorophenyl)-piperidin-3-ylmethanamine
SMILESNC(c1ccc(F)c(Cl)c1)C1CCCNC1
InChIInChI=1S/C12H16ClFN2/c13-10-6-8(3-4-11(10)14)12(15)9-2-1-5-16-7-9/h3-4,6,9,12,16H,1-2,5,7,15H2
InChIKeyBQFTXDJGUZHXFP-UHFFFAOYSA-N
XLogP2.48
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.72
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chloro-4-fluorophenyl)-cyclohexylmethanamine
CID 63093302
(R)-(3-chloro-4-fluorophenyl)-(oxan-4-yl)methanamine
CID 131491152
N-[1-(3-chloro-4-fluorophenyl)ethyl]-3-piperidin-3-ylbutanamide
CID 119745659
azetidin-3-yl-(3,4-difluorophenyl)methanamine
CID 116935312
1-[(S)-(3-chloro-4-fluorophenyl)-cyclobutylmethyl]piperazine;hydrochloride
CID 171178825
(R)-(4-chloro-3-fluorophenyl)-cyclobutylmethanamine;hydrochloride
CID 171209453
(4-fluoro-3-methylphenyl)-piperidin-3-ylmethanol
CID 79023931
1-[(S)-(3-chloro-4-fluorophenyl)-cyclohexylmethyl]piperazine;hydrochloride
CID 171163414
3-[(2,5-dichlorophenyl)-fluoromethyl]piperidine
CID 112565315
(3,4-difluorophenyl)-piperidin-4-ylmethanamine
CID 82287810
(R)-(3-bromo-4-fluorophenyl)-cyclobutylmethanamine
CID 130054470
N-[1-(3-chloro-4-fluorophenyl)ethyl]-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106624124

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-fluorophenyl)-piperidin-3-ylmethanamine?
The IUPAC name of (3-chloro-4-fluorophenyl)-piperidin-3-ylmethanamine (CID 116935836) is (3-chloro-4-fluorophenyl)-piperidin-3-ylmethanamine.
What is the SMILES notation for (3-chloro-4-fluorophenyl)-piperidin-3-ylmethanamine?
The canonical SMILES for (3-chloro-4-fluorophenyl)-piperidin-3-ylmethanamine is NC(c1ccc(F)c(Cl)c1)C1CCCNC1.
What is the InChIKey of (3-chloro-4-fluorophenyl)-piperidin-3-ylmethanamine?
The InChIKey is BQFTXDJGUZHXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2/c13-10-6-8(3-4-11(10)14)12(15)9-2-1-5-16-7-9/h3-4,6,9,12,16H,1-2,5,7,15H2.
What are the key properties of (3-chloro-4-fluorophenyl)-piperidin-3-ylmethanamine?
(3-chloro-4-fluorophenyl)-piperidin-3-ylmethanamine has a molecular weight of 242.72 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-fluorophenyl)-piperidin-3-ylmethanamine is sourced from PubChem (CID 116935836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).