1-[(3-bromophenyl)methyl]-4,4-difluoropiperidine

C12H14BrF2N — CID 86686688

IUPAC1-[(3-bromophenyl)methyl]-4,4-difluoropiperidine
SMILESFC1(F)CCN(Cc2cccc(Br)c2)CC1
InChIInChI=1S/C12H14BrF2N/c13-11-3-1-2-10(8-11)9-16-6-4-12(14,15)5-7-16/h1-3,8H,4-7,9H2
InChIKeyLWHGRRYEKLSRSM-UHFFFAOYSA-N
MW290.15 g/mol
LogP3.68
Rot. Bonds2

About 1-[(3-bromophenyl)methyl]-4,4-difluoropiperidine

1-[(3-bromophenyl)methyl]-4,4-difluoropiperidine (PubChem CID 86686688) has the molecular formula C12H14BrF2N and a molecular weight of 290.15 g/mol. Its IUPAC name is 1-[(3-bromophenyl)methyl]-4,4-difluoropiperidine.

Molecular Properties

Compound Name1-[(3-bromophenyl)methyl]-4,4-difluoropiperidine
PubChem CID86686688
Molecular FormulaC12H14BrF2N
Molecular Weight290.15 g/mol
Exact Mass289.03
IUPAC Name1-[(3-bromophenyl)methyl]-4,4-difluoropiperidine
SMILESFC1(F)CCN(Cc2cccc(Br)c2)CC1
InChIInChI=1S/C12H14BrF2N/c13-11-3-1-2-10(8-11)9-16-6-4-12(14,15)5-7-16/h1-3,8H,4-7,9H2
InChIKeyLWHGRRYEKLSRSM-UHFFFAOYSA-N
XLogP3.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.15
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(3-bromophenyl)methyl]-4,4-dimethylpiperidine
CID 63457847
1-[(5-bromonaphthalen-2-yl)methyl]-4,4-difluoropiperidine
CID 171396789
1-[(3-bromophenyl)methyl]-4-(2,2,2-trifluoroethyl)piperazine
CID 60705102
4-[(3-bromophenyl)methyl]morpholine;hydrochloride
CID 17249740
1-[(3-bromophenyl)methyl]-4-(chloromethyl)piperidine
CID 63387610
2-[4-[(3-bromophenyl)methyl]piperazin-1-yl]-N,N-dimethylethanamine
CID 60691696
[3-[(4,4-difluoropiperidin-1-yl)methyl]phenyl]urea
CID 173222683
3-[(4,4-difluoropiperidin-1-yl)methyl]pyridine
CID 117007748
4,4-difluoro-1-[(4-fluorophenyl)methyl]piperidine
CID 58243431
1-[(4-chlorophenyl)methyl]-4,4-difluoropiperidine
CID 165493052
1-[(4-bromofuran-2-yl)methyl]-4,4-difluoropiperidine
CID 146026973
3-[(3,3-difluoropyrrolidin-1-yl)methyl]benzoic acid;hydrochloride
CID 137332046

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromophenyl)methyl]-4,4-difluoropiperidine?
The IUPAC name of 1-[(3-bromophenyl)methyl]-4,4-difluoropiperidine (CID 86686688) is 1-[(3-bromophenyl)methyl]-4,4-difluoropiperidine.
What is the SMILES notation for 1-[(3-bromophenyl)methyl]-4,4-difluoropiperidine?
The canonical SMILES for 1-[(3-bromophenyl)methyl]-4,4-difluoropiperidine is FC1(F)CCN(Cc2cccc(Br)c2)CC1.
What is the InChIKey of 1-[(3-bromophenyl)methyl]-4,4-difluoropiperidine?
The InChIKey is LWHGRRYEKLSRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrF2N/c13-11-3-1-2-10(8-11)9-16-6-4-12(14,15)5-7-16/h1-3,8H,4-7,9H2.
What are the key properties of 1-[(3-bromophenyl)methyl]-4,4-difluoropiperidine?
1-[(3-bromophenyl)methyl]-4,4-difluoropiperidine has a molecular weight of 290.15 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromophenyl)methyl]-4,4-difluoropiperidine is sourced from PubChem (CID 86686688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).