[(3R)-3-[(3-chlorophenyl)methyl]-1-(pyridin-2-ylmethyl)piperidin-3-yl]methanol

C19H23ClN2O — CID 42291689

IUPAC[(3R)-3-[(3-chlorophenyl)methyl]-1-(pyridin-2-ylmethyl)piperidin-3-yl]methanol
SMILESOC[C@@]1(Cc2cccc(Cl)c2)CCCN(Cc2ccccn2)C1
InChIInChI=1S/C19H23ClN2O/c20-17-6-3-5-16(11-17)12-19(15-23)8-4-10-22(14-19)13-18-7-1-2-9-21-18/h1-3,5-7,9,11,23H,4,8,10,12-15H2/t19-/m1/s1
InChIKeyQVBIECRXUPVDQP-LJQANCHMSA-N
MW330.86 g/mol
LogP3.55
Rot. Bonds5

About [(3R)-3-[(3-chlorophenyl)methyl]-1-(pyridin-2-ylmethyl)piperidin-3-yl]methanol

[(3R)-3-[(3-chlorophenyl)methyl]-1-(pyridin-2-ylmethyl)piperidin-3-yl]methanol (PubChem CID 42291689) has the molecular formula C19H23ClN2O and a molecular weight of 330.86 g/mol. Its IUPAC name is [(3R)-3-[(3-chlorophenyl)methyl]-1-(pyridin-2-ylmethyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-3-[(3-chlorophenyl)methyl]-1-(pyridin-2-ylmethyl)piperidin-3-yl]methanol
PubChem CID42291689
Molecular FormulaC19H23ClN2O
Molecular Weight330.86 g/mol
Exact Mass330.15
IUPAC Name[(3R)-3-[(3-chlorophenyl)methyl]-1-(pyridin-2-ylmethyl)piperidin-3-yl]methanol
SMILESOC[C@@]1(Cc2cccc(Cl)c2)CCCN(Cc2ccccn2)C1
InChIInChI=1S/C19H23ClN2O/c20-17-6-3-5-16(11-17)12-19(15-23)8-4-10-22(14-19)13-18-7-1-2-9-21-18/h1-3,5-7,9,11,23H,4,8,10,12-15H2/t19-/m1/s1
InChIKeyQVBIECRXUPVDQP-LJQANCHMSA-N
XLogP3.55
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S)-3-[(3-chlorophenyl)methyl]-1-[(5-ethylfuran-2-yl)methyl]piperidin-3-yl]methanol
CID 26317970
1-[3-[[3-[(3-chlorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]ethanone
CID 45228793
N-[2-[[3-[(3-chlorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]methyl]quinolin-5-yl]acetamide
CID 45176927
[3-[(3-chlorophenyl)methyl]-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]methanol
CID 23723435
1-[4-[[(3R)-3-[(3-chlorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]methyl]thiophen-2-yl]ethanone
CID 42147098
[(3S)-3-[(3-chlorophenyl)methyl]-1-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperidin-3-yl]methanol
CID 42302579
[3-benzyl-1-[(4-pyrimidin-2-yloxyphenyl)methyl]piperidin-3-yl]methanol
CID 45193972
3-[[3-benzyl-3-(hydroxymethyl)piperidin-1-yl]methyl]benzoic acid
CID 122034614
4-[[3-benzyl-3-(hydroxymethyl)piperidin-1-yl]methyl]benzoic acid
CID 122034615
3-methyl-1-(pyridin-2-ylmethyl)piperidin-3-ol
CID 115873664
[(3R)-3-[(3-chlorophenyl)methyl]-1-(1,4-dithiepan-6-yl)piperidin-3-yl]methanol
CID 25458139
2,9-bis(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane
CID 131649183

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[(3-chlorophenyl)methyl]-1-(pyridin-2-ylmethyl)piperidin-3-yl]methanol?
The IUPAC name of [(3R)-3-[(3-chlorophenyl)methyl]-1-(pyridin-2-ylmethyl)piperidin-3-yl]methanol (CID 42291689) is [(3R)-3-[(3-chlorophenyl)methyl]-1-(pyridin-2-ylmethyl)piperidin-3-yl]methanol.
What is the SMILES notation for [(3R)-3-[(3-chlorophenyl)methyl]-1-(pyridin-2-ylmethyl)piperidin-3-yl]methanol?
The canonical SMILES for [(3R)-3-[(3-chlorophenyl)methyl]-1-(pyridin-2-ylmethyl)piperidin-3-yl]methanol is OC[C@@]1(Cc2cccc(Cl)c2)CCCN(Cc2ccccn2)C1.
What is the InChIKey of [(3R)-3-[(3-chlorophenyl)methyl]-1-(pyridin-2-ylmethyl)piperidin-3-yl]methanol?
The InChIKey is QVBIECRXUPVDQP-LJQANCHMSA-N. The full InChI is InChI=1S/C19H23ClN2O/c20-17-6-3-5-16(11-17)12-19(15-23)8-4-10-22(14-19)13-18-7-1-2-9-21-18/h1-3,5-7,9,11,23H,4,8,10,12-15H2/t19-/m1/s1.
What are the key properties of [(3R)-3-[(3-chlorophenyl)methyl]-1-(pyridin-2-ylmethyl)piperidin-3-yl]methanol?
[(3R)-3-[(3-chlorophenyl)methyl]-1-(pyridin-2-ylmethyl)piperidin-3-yl]methanol has a molecular weight of 330.86 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[(3-chlorophenyl)methyl]-1-(pyridin-2-ylmethyl)piperidin-3-yl]methanol is sourced from PubChem (CID 42291689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).