[(3S)-1-[(2-bromophenyl)methyl]piperidin-3-yl]methanol

C13H18BrNO — CID 40514210

IUPAC[(3S)-1-[(2-bromophenyl)methyl]piperidin-3-yl]methanol
SMILESOC[C@H]1CCCN(Cc2ccccc2Br)C1
InChIInChI=1S/C13H18BrNO/c14-13-6-2-1-5-12(13)9-15-7-3-4-11(8-15)10-16/h1-2,5-6,11,16H,3-4,7-10H2/t11-/m0/s1
InChIKeyLNUXVQUYWFPQMH-NSHDSACASA-N
MW284.20 g/mol
LogP2.65
Rot. Bonds3

About [(3S)-1-[(2-bromophenyl)methyl]piperidin-3-yl]methanol

[(3S)-1-[(2-bromophenyl)methyl]piperidin-3-yl]methanol (PubChem CID 40514210) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is [(3S)-1-[(2-bromophenyl)methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-1-[(2-bromophenyl)methyl]piperidin-3-yl]methanol
PubChem CID40514210
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name[(3S)-1-[(2-bromophenyl)methyl]piperidin-3-yl]methanol
SMILESOC[C@H]1CCCN(Cc2ccccc2Br)C1
InChIInChI=1S/C13H18BrNO/c14-13-6-2-1-5-12(13)9-15-7-3-4-11(8-15)10-16/h1-2,5-6,11,16H,3-4,7-10H2/t11-/m0/s1
InChIKeyLNUXVQUYWFPQMH-NSHDSACASA-N
XLogP2.65
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(bromomethyl)-1-[(2-bromophenyl)methyl]piperidine
CID 80679308
[1-[(2-bromophenyl)methyl]piperidin-3-yl]methanamine;hydrochloride
CID 119915654
1-[(2-bromophenyl)methyl]-3-(2-chloroethyl)piperidine
CID 63388518
(3S)-1-[(2-bromophenyl)methyl]piperidin-3-amine
CID 24904438
2-[1-[(2-bromophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728391
3-bromo-1-[(2-bromophenyl)methyl]piperidine
CID 80679518
2-[[(3R)-3-(hydroxymethyl)piperidin-1-yl]methyl]benzonitrile
CID 86311278
1-[(2-bromophenyl)methyl]-3-methylpiperidine
CID 60644748
methyl 2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]benzoate
CID 82969171
2-[2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]acetohydrazide
CID 115465290
1-[(2-bromophenyl)methyl]piperidine-3-carbaldehyde
CID 62662381
[1-[(4-bromo-2-fluorophenyl)methyl]piperidin-3-yl]methanol
CID 60644953

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-[(2-bromophenyl)methyl]piperidin-3-yl]methanol?
The IUPAC name of [(3S)-1-[(2-bromophenyl)methyl]piperidin-3-yl]methanol (CID 40514210) is [(3S)-1-[(2-bromophenyl)methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [(3S)-1-[(2-bromophenyl)methyl]piperidin-3-yl]methanol?
The canonical SMILES for [(3S)-1-[(2-bromophenyl)methyl]piperidin-3-yl]methanol is OC[C@H]1CCCN(Cc2ccccc2Br)C1.
What is the InChIKey of [(3S)-1-[(2-bromophenyl)methyl]piperidin-3-yl]methanol?
The InChIKey is LNUXVQUYWFPQMH-NSHDSACASA-N. The full InChI is InChI=1S/C13H18BrNO/c14-13-6-2-1-5-12(13)9-15-7-3-4-11(8-15)10-16/h1-2,5-6,11,16H,3-4,7-10H2/t11-/m0/s1.
What are the key properties of [(3S)-1-[(2-bromophenyl)methyl]piperidin-3-yl]methanol?
[(3S)-1-[(2-bromophenyl)methyl]piperidin-3-yl]methanol has a molecular weight of 284.20 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-[(2-bromophenyl)methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 40514210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).