1-[(4-chlorophenyl)methyl]-4,4-difluoropiperidine

C12H14ClF2N — CID 165493052

IUPAC1-[(4-chlorophenyl)methyl]-4,4-difluoropiperidine
SMILESFC1(F)CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C12H14ClF2N/c13-11-3-1-10(2-4-11)9-16-7-5-12(14,15)6-8-16/h1-4H,5-9H2
InChIKeyITMBOPLJPDLTHB-UHFFFAOYSA-N
MW245.70 g/mol
LogP3.57
Rot. Bonds2

About 1-[(4-chlorophenyl)methyl]-4,4-difluoropiperidine

1-[(4-chlorophenyl)methyl]-4,4-difluoropiperidine (PubChem CID 165493052) has the molecular formula C12H14ClF2N and a molecular weight of 245.70 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-4,4-difluoropiperidine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-4,4-difluoropiperidine
PubChem CID165493052
Molecular FormulaC12H14ClF2N
Molecular Weight245.70 g/mol
Exact Mass245.08
IUPAC Name1-[(4-chlorophenyl)methyl]-4,4-difluoropiperidine
SMILESFC1(F)CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C12H14ClF2N/c13-11-3-1-10(2-4-11)9-16-7-5-12(14,15)6-8-16/h1-4H,5-9H2
InChIKeyITMBOPLJPDLTHB-UHFFFAOYSA-N
XLogP3.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.70
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4,4-difluoro-1-[(4-fluorophenyl)methyl]piperidine
CID 58243431
4-[(4,4-difluoropiperidin-1-yl)methyl]-N-methylaniline
CID 116991205
1-benzyl-4-(4-chlorophenyl)-4-fluoropiperidine
CID 18675820
4-(aminomethyl)-1-[(4-chlorophenyl)methyl]piperidin-4-ol
CID 82298989
[4-[(4,4-difluoropiperidin-1-yl)methyl]phenoxy]boronic acid
CID 175501708
5-[(4,4-difluoropiperidin-1-yl)methyl]-2-methylpyridine
CID 143579558
1-[(4-chlorophenyl)methyl]-4-[(4-ethylphenyl)methyl]piperazine
CID 877900
1-[(4-chlorophenyl)methyl]-4-propylpiperazine
CID 22196915
3-[(4,4-difluoropiperidin-1-yl)methyl]pyridine
CID 117007748
1-[(3-bromophenyl)methyl]-4,4-difluoropiperidine
CID 86686688
(2R)-2-[4-[(4,4-difluoropiperidin-1-yl)methyl]phenoxy]propanoic acid
CID 99952667
4-bromo-1-[(4-chlorophenyl)methyl]piperidine
CID 80679127

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-4,4-difluoropiperidine?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-4,4-difluoropiperidine (CID 165493052) is 1-[(4-chlorophenyl)methyl]-4,4-difluoropiperidine.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-4,4-difluoropiperidine?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-4,4-difluoropiperidine is FC1(F)CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-4,4-difluoropiperidine?
The InChIKey is ITMBOPLJPDLTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF2N/c13-11-3-1-10(2-4-11)9-16-7-5-12(14,15)6-8-16/h1-4H,5-9H2.
What are the key properties of 1-[(4-chlorophenyl)methyl]-4,4-difluoropiperidine?
1-[(4-chlorophenyl)methyl]-4,4-difluoropiperidine has a molecular weight of 245.70 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-4,4-difluoropiperidine is sourced from PubChem (CID 165493052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).