[4-[(2-chlorophenyl)methyl]-1-(1-methoxypropan-2-yl)piperidin-4-yl]methanol

C17H26ClNO2 — CID 45173972

IUPAC[4-[(2-chlorophenyl)methyl]-1-(1-methoxypropan-2-yl)piperidin-4-yl]methanol
SMILESCOCC(C)N1CCC(CO)(Cc2ccccc2Cl)CC1
InChIInChI=1S/C17H26ClNO2/c1-14(12-21-2)19-9-7-17(13-20,8-10-19)11-15-5-3-4-6-16(15)18/h3-6,14,20H,7-13H2,1-2H3
InChIKeyCALPXTFPUPXIAK-UHFFFAOYSA-N
MW311.85 g/mol
LogP2.99
Rot. Bonds6

About [4-[(2-chlorophenyl)methyl]-1-(1-methoxypropan-2-yl)piperidin-4-yl]methanol

[4-[(2-chlorophenyl)methyl]-1-(1-methoxypropan-2-yl)piperidin-4-yl]methanol (PubChem CID 45173972) has the molecular formula C17H26ClNO2 and a molecular weight of 311.85 g/mol. Its IUPAC name is [4-[(2-chlorophenyl)methyl]-1-(1-methoxypropan-2-yl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[4-[(2-chlorophenyl)methyl]-1-(1-methoxypropan-2-yl)piperidin-4-yl]methanol
PubChem CID45173972
Molecular FormulaC17H26ClNO2
Molecular Weight311.85 g/mol
Exact Mass311.17
IUPAC Name[4-[(2-chlorophenyl)methyl]-1-(1-methoxypropan-2-yl)piperidin-4-yl]methanol
SMILESCOCC(C)N1CCC(CO)(Cc2ccccc2Cl)CC1
InChIInChI=1S/C17H26ClNO2/c1-14(12-21-2)19-9-7-17(13-20,8-10-19)11-15-5-3-4-6-16(15)18/h3-6,14,20H,7-13H2,1-2H3
InChIKeyCALPXTFPUPXIAK-UHFFFAOYSA-N
XLogP2.99
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.85
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(2-chlorophenyl)methyl]-1-[(2R)-5-methylhex-5-en-2-yl]piperidin-4-yl]methanol
CID 30877017
[1-[(2-chlorophenyl)methyl]cyclopropyl]methanol
CID 66024776
[4-[(2-chlorophenyl)methyl]-1-(3-methylsulfanylpropyl)piperidin-4-yl]methanol
CID 28766387
[4-[(2-chlorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 56752488
[4-(2-phenoxyethyl)-1-[(2S)-1-phenoxypropan-2-yl]piperidin-4-yl]methanol
CID 42566482
[1-benzylsulfonyl-4-[(2-chlorophenyl)methyl]piperidin-4-yl]methanol
CID 25369839
1-[4-[(2-chlorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]-3-phenylprop-2-yn-1-one
CID 26399890
[3-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]methanol
CID 66059643
[1-[1-(2-methoxyphenyl)propan-2-yl]-4-(2-phenoxyethyl)piperidin-4-yl]methanol
CID 45219357
[4-[(2-chlorophenyl)methyl]-1-quinoxalin-2-ylpiperidin-4-yl]methanol
CID 56752619
4-[(2-chlorophenyl)methyl]-1-propan-2-ylazepan-4-ol
CID 65077723
[4-[(2-chlorophenyl)methyl]-1-[(3-phenylpyrazolidin-4-yl)methyl]piperidin-4-yl]methanol
CID 74552846

Frequently Asked Questions

What is the IUPAC name of [4-[(2-chlorophenyl)methyl]-1-(1-methoxypropan-2-yl)piperidin-4-yl]methanol?
The IUPAC name of [4-[(2-chlorophenyl)methyl]-1-(1-methoxypropan-2-yl)piperidin-4-yl]methanol (CID 45173972) is [4-[(2-chlorophenyl)methyl]-1-(1-methoxypropan-2-yl)piperidin-4-yl]methanol.
What is the SMILES notation for [4-[(2-chlorophenyl)methyl]-1-(1-methoxypropan-2-yl)piperidin-4-yl]methanol?
The canonical SMILES for [4-[(2-chlorophenyl)methyl]-1-(1-methoxypropan-2-yl)piperidin-4-yl]methanol is COCC(C)N1CCC(CO)(Cc2ccccc2Cl)CC1.
What is the InChIKey of [4-[(2-chlorophenyl)methyl]-1-(1-methoxypropan-2-yl)piperidin-4-yl]methanol?
The InChIKey is CALPXTFPUPXIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO2/c1-14(12-21-2)19-9-7-17(13-20,8-10-19)11-15-5-3-4-6-16(15)18/h3-6,14,20H,7-13H2,1-2H3.
What are the key properties of [4-[(2-chlorophenyl)methyl]-1-(1-methoxypropan-2-yl)piperidin-4-yl]methanol?
[4-[(2-chlorophenyl)methyl]-1-(1-methoxypropan-2-yl)piperidin-4-yl]methanol has a molecular weight of 311.85 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-chlorophenyl)methyl]-1-(1-methoxypropan-2-yl)piperidin-4-yl]methanol is sourced from PubChem (CID 45173972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).