(3R)-1-[(2-chloro-5-fluorophenyl)methyl]piperidin-3-amine;hydrochloride

C12H17Cl2FN2 — CID 120967115

IUPAC(3R)-1-[(2-chloro-5-fluorophenyl)methyl]piperidin-3-amine;hydrochloride
SMILESCl.N[C@@H]1CCCN(Cc2cc(F)ccc2Cl)C1
InChIInChI=1S/C12H16ClFN2.ClH/c13-12-4-3-10(14)6-9(12)7-16-5-1-2-11(15)8-16;/h3-4,6,11H,1-2,5,7-8,15H2;1H/t11-;/m1./s1
InChIKeyWBSXUXRPTIKMBY-RFVHGSKJSA-N
MW279.19 g/mol
LogP2.82
Rot. Bonds2

About (3R)-1-[(2-chloro-5-fluorophenyl)methyl]piperidin-3-amine;hydrochloride

(3R)-1-[(2-chloro-5-fluorophenyl)methyl]piperidin-3-amine;hydrochloride (PubChem CID 120967115) has the molecular formula C12H17Cl2FN2 and a molecular weight of 279.19 g/mol. Its IUPAC name is (3R)-1-[(2-chloro-5-fluorophenyl)methyl]piperidin-3-amine;hydrochloride.

Molecular Properties

Compound Name(3R)-1-[(2-chloro-5-fluorophenyl)methyl]piperidin-3-amine;hydrochloride
PubChem CID120967115
Molecular FormulaC12H17Cl2FN2
Molecular Weight279.19 g/mol
Exact Mass278.08
IUPAC Name(3R)-1-[(2-chloro-5-fluorophenyl)methyl]piperidin-3-amine;hydrochloride
SMILESCl.N[C@@H]1CCCN(Cc2cc(F)ccc2Cl)C1
InChIInChI=1S/C12H16ClFN2.ClH/c13-12-4-3-10(14)6-9(12)7-16-5-1-2-11(15)8-16;/h3-4,6,11H,1-2,5,7-8,15H2;1H/t11-;/m1./s1
InChIKeyWBSXUXRPTIKMBY-RFVHGSKJSA-N
XLogP2.82
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.19
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120966061
1-[(2-bromo-5-fluorophenyl)methyl]piperidin-3-amine;hydrochloride
CID 119910188
1-[1-[(2-chloro-5-fluorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120966307
[1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-3-yl]methanamine
CID 102616960
(3S)-1-[(4-fluoro-2-methylphenyl)methyl]piperidin-3-amine
CID 24904859
N-[[1-[(2-chloro-5-fluorophenyl)methyl]piperidin-3-yl]methyl]ethanamine
CID 102616382
(3R)-1-[(2-chlorothiophen-3-yl)methyl]piperidin-3-amine;hydrochloride
CID 120845906
3-bromo-1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidine
CID 102620188
(3R)-1-[(3-chloro-2-fluorophenyl)methyl]piperidin-3-amine
CID 24904568
1-[(2-chloro-5-fluorophenyl)methyl]-3-pyrrolidin-2-ylpiperidine
CID 102616953
2-[[1-[(2-chloro-5-fluorophenyl)methyl]piperidin-3-yl]methylamino]acetic acid
CID 106813889
(3S)-1-[(2-chloro-5-methoxyphenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120966557

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2-chloro-5-fluorophenyl)methyl]piperidin-3-amine;hydrochloride?
The IUPAC name of (3R)-1-[(2-chloro-5-fluorophenyl)methyl]piperidin-3-amine;hydrochloride (CID 120967115) is (3R)-1-[(2-chloro-5-fluorophenyl)methyl]piperidin-3-amine;hydrochloride.
What is the SMILES notation for (3R)-1-[(2-chloro-5-fluorophenyl)methyl]piperidin-3-amine;hydrochloride?
The canonical SMILES for (3R)-1-[(2-chloro-5-fluorophenyl)methyl]piperidin-3-amine;hydrochloride is Cl.N[C@@H]1CCCN(Cc2cc(F)ccc2Cl)C1.
What is the InChIKey of (3R)-1-[(2-chloro-5-fluorophenyl)methyl]piperidin-3-amine;hydrochloride?
The InChIKey is WBSXUXRPTIKMBY-RFVHGSKJSA-N. The full InChI is InChI=1S/C12H16ClFN2.ClH/c13-12-4-3-10(14)6-9(12)7-16-5-1-2-11(15)8-16;/h3-4,6,11H,1-2,5,7-8,15H2;1H/t11-;/m1./s1.
What are the key properties of (3R)-1-[(2-chloro-5-fluorophenyl)methyl]piperidin-3-amine;hydrochloride?
(3R)-1-[(2-chloro-5-fluorophenyl)methyl]piperidin-3-amine;hydrochloride has a molecular weight of 279.19 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2-chloro-5-fluorophenyl)methyl]piperidin-3-amine;hydrochloride is sourced from PubChem (CID 120967115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).