[(3R)-1-[(3-chlorophenyl)methyl]piperidin-3-yl]methanol

C13H18ClNO — CID 40514299

IUPAC[(3R)-1-[(3-chlorophenyl)methyl]piperidin-3-yl]methanol
SMILESOC[C@@H]1CCCN(Cc2cccc(Cl)c2)C1
InChIInChI=1S/C13H18ClNO/c14-13-5-1-3-11(7-13)8-15-6-2-4-12(9-15)10-16/h1,3,5,7,12,16H,2,4,6,8-10H2/t12-/m1/s1
InChIKeyBKJRNNAFSPKFLS-GFCCVEGCSA-N
MW239.75 g/mol
LogP2.54
Rot. Bonds3

About [(3R)-1-[(3-chlorophenyl)methyl]piperidin-3-yl]methanol

[(3R)-1-[(3-chlorophenyl)methyl]piperidin-3-yl]methanol (PubChem CID 40514299) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is [(3R)-1-[(3-chlorophenyl)methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-1-[(3-chlorophenyl)methyl]piperidin-3-yl]methanol
PubChem CID40514299
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name[(3R)-1-[(3-chlorophenyl)methyl]piperidin-3-yl]methanol
SMILESOC[C@@H]1CCCN(Cc2cccc(Cl)c2)C1
InChIInChI=1S/C13H18ClNO/c14-13-5-1-3-11(7-13)8-15-6-2-4-12(9-15)10-16/h1,3,5,7,12,16H,2,4,6,8-10H2/t12-/m1/s1
InChIKeyBKJRNNAFSPKFLS-GFCCVEGCSA-N
XLogP2.54
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(3-chlorophenyl)methyl]piperidin-4-yl]methanol
CID 47035134
N-[[1-[(3-chlorophenyl)methyl]piperidin-3-yl]methyl]cyclopropanamine
CID 62582064
1-[(3-chlorophenyl)methyl]pyrrolidine
CID 12738005
1-[(3-chlorophenyl)methyl]-N-(cyclopropylmethyl)piperidin-3-amine
CID 83996341
1-(3-chlorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 62025148
[(3S)-1-[(3-bromo-4-fluorophenyl)methyl]piperidin-3-yl]methanol
CID 40514424
1-(3-chlorophenyl)-3-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 62630181
3-[3-[[3-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]benzenesulfonamide
CID 165417446
1-[(3-chlorophenyl)methyl]pyrrolidine;ethane;methanol
CID 145435843
(1-benzylpyrrolidin-3-yl)methanol;hydrochloride
CID 75485238
2-[3-[[3-(hydroxymethyl)piperidin-1-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 171908907
3-[(3-chlorophenyl)methyl]-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 119927254

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[(3-chlorophenyl)methyl]piperidin-3-yl]methanol?
The IUPAC name of [(3R)-1-[(3-chlorophenyl)methyl]piperidin-3-yl]methanol (CID 40514299) is [(3R)-1-[(3-chlorophenyl)methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [(3R)-1-[(3-chlorophenyl)methyl]piperidin-3-yl]methanol?
The canonical SMILES for [(3R)-1-[(3-chlorophenyl)methyl]piperidin-3-yl]methanol is OC[C@@H]1CCCN(Cc2cccc(Cl)c2)C1.
What is the InChIKey of [(3R)-1-[(3-chlorophenyl)methyl]piperidin-3-yl]methanol?
The InChIKey is BKJRNNAFSPKFLS-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H18ClNO/c14-13-5-1-3-11(7-13)8-15-6-2-4-12(9-15)10-16/h1,3,5,7,12,16H,2,4,6,8-10H2/t12-/m1/s1.
What are the key properties of [(3R)-1-[(3-chlorophenyl)methyl]piperidin-3-yl]methanol?
[(3R)-1-[(3-chlorophenyl)methyl]piperidin-3-yl]methanol has a molecular weight of 239.75 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-[(3-chlorophenyl)methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 40514299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).