(2R)-2-[(4-chlorophenyl)methyl]-5,5-difluoropiperidine;hydrochloride

C12H15Cl2F2N — CID 155765954

IUPAC(2R)-2-[(4-chlorophenyl)methyl]-5,5-difluoropiperidine;hydrochloride
SMILESCl.FC1(F)CC[C@H](Cc2ccc(Cl)cc2)NC1
InChIInChI=1S/C12H14ClF2N.ClH/c13-10-3-1-9(2-4-10)7-11-5-6-12(14,15)8-16-11;/h1-4,11,16H,5-8H2;1H/t11-;/m1./s1
InChIKeyXUXHLLLACBAEDJ-RFVHGSKJSA-N
MW282.16 g/mol
LogP3.69
Rot. Bonds2

About (2R)-2-[(4-chlorophenyl)methyl]-5,5-difluoropiperidine;hydrochloride

(2R)-2-[(4-chlorophenyl)methyl]-5,5-difluoropiperidine;hydrochloride (PubChem CID 155765954) has the molecular formula C12H15Cl2F2N and a molecular weight of 282.16 g/mol. Its IUPAC name is (2R)-2-[(4-chlorophenyl)methyl]-5,5-difluoropiperidine;hydrochloride.

Molecular Properties

Compound Name(2R)-2-[(4-chlorophenyl)methyl]-5,5-difluoropiperidine;hydrochloride
PubChem CID155765954
Molecular FormulaC12H15Cl2F2N
Molecular Weight282.16 g/mol
Exact Mass281.05
IUPAC Name(2R)-2-[(4-chlorophenyl)methyl]-5,5-difluoropiperidine;hydrochloride
SMILESCl.FC1(F)CC[C@H](Cc2ccc(Cl)cc2)NC1
InChIInChI=1S/C12H14ClF2N.ClH/c13-10-3-1-9(2-4-10)7-11-5-6-12(14,15)8-16-11;/h1-4,11,16H,5-8H2;1H/t11-;/m1./s1
InChIKeyXUXHLLLACBAEDJ-RFVHGSKJSA-N
XLogP3.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.16
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-Chlorophenyl)-1,2,3,6-tetrahydropyridine
CID 185717
(RS/SR)-2-[1-(3,4-dichlorophenyl)butyl]piperidine
CID 16102764
4-(4-Chlorophenyl)-1,2,3,6-tetrahydropyridinium chloride
CID 2723612
3-(4-Chlorophenyl)-2-nortropene
CID 9859279
N-[3-(4-chlorophenyl)-4-methylpentyl]-1-methylpiperidin-4-amine
CID 17583254
p-Chloromethamphetamine
CID 3128
(RS/SR)-2-[1-(4-chlorophenyl)ethyl]piperidine
CID 16102749
(RS/SR)-2-[1-(4-chlorophenyl)propyl]piperidine
CID 16102750
(RS/SR)-2-[1-(4-chlorophenyl)butyl]piperidine
CID 16102751
(RS/SR)-2-[1-(4-chlorophenyl)pentyl]piperidine
CID 16102753
(RS/SR)-2-[1-(4-chlorophenyl)hexyl]piperidine
CID 16102754
(RR/SS)-2-[1-(3,4-dichlorophenyl)-3-methylbutyl]-piperidine
CID 16102766

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-chlorophenyl)methyl]-5,5-difluoropiperidine;hydrochloride?
The IUPAC name of (2R)-2-[(4-chlorophenyl)methyl]-5,5-difluoropiperidine;hydrochloride (CID 155765954) is (2R)-2-[(4-chlorophenyl)methyl]-5,5-difluoropiperidine;hydrochloride.
What is the SMILES notation for (2R)-2-[(4-chlorophenyl)methyl]-5,5-difluoropiperidine;hydrochloride?
The canonical SMILES for (2R)-2-[(4-chlorophenyl)methyl]-5,5-difluoropiperidine;hydrochloride is Cl.FC1(F)CC[C@H](Cc2ccc(Cl)cc2)NC1.
What is the InChIKey of (2R)-2-[(4-chlorophenyl)methyl]-5,5-difluoropiperidine;hydrochloride?
The InChIKey is XUXHLLLACBAEDJ-RFVHGSKJSA-N. The full InChI is InChI=1S/C12H14ClF2N.ClH/c13-10-3-1-9(2-4-10)7-11-5-6-12(14,15)8-16-11;/h1-4,11,16H,5-8H2;1H/t11-;/m1./s1.
What are the key properties of (2R)-2-[(4-chlorophenyl)methyl]-5,5-difluoropiperidine;hydrochloride?
(2R)-2-[(4-chlorophenyl)methyl]-5,5-difluoropiperidine;hydrochloride has a molecular weight of 282.16 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-chlorophenyl)methyl]-5,5-difluoropiperidine;hydrochloride is sourced from PubChem (CID 155765954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).