4-(3-chlorophenyl)-1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-ol

C16H19ClN2O2 — CID 169137807

IUPAC4-(3-chlorophenyl)-1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-ol
SMILESCc1nc(CN2CCC(O)(c3cccc(Cl)c3)CC2)co1
InChIInChI=1S/C16H19ClN2O2/c1-12-18-15(11-21-12)10-19-7-5-16(20,6-8-19)13-3-2-4-14(17)9-13/h2-4,9,11,20H,5-8,10H2,1H3
InChIKeyDTETWZKHXPPBMX-UHFFFAOYSA-N
MW306.79 g/mol
LogP3.12
Rot. Bonds3

About 4-(3-chlorophenyl)-1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-ol

4-(3-chlorophenyl)-1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-ol (PubChem CID 169137807) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-(3-chlorophenyl)-1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-ol
PubChem CID169137807
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC Name4-(3-chlorophenyl)-1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-ol
SMILESCc1nc(CN2CCC(O)(c3cccc(Cl)c3)CC2)co1
InChIInChI=1S/C16H19ClN2O2/c1-12-18-15(11-21-12)10-19-7-5-16(20,6-8-19)13-3-2-4-14(17)9-13/h2-4,9,11,20H,5-8,10H2,1H3
InChIKeyDTETWZKHXPPBMX-UHFFFAOYSA-N
XLogP3.12
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-chlorophenyl)-1-methylpiperidin-4-ol;ethane
CID 144802355
4-[(4-chloro-3,5-dimethylphenoxy)methyl]-1-[(2-methyl-1,3-oxazol-4-yl)methyl]azepan-4-ol
CID 155991435
1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-ol
CID 130996437
4-[4-(3-chlorophenyl)-4-hydroxypiperidin-1-yl]butanehydrazide
CID 54336798
4-(4-chlorophenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-ol
CID 118784767
4-[[4-[(3-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]-2-methyl-1,3-oxazole
CID 56906436
1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(2-methyl-1,3-oxazol-4-yl)propan-1-one
CID 110679231
1-ethyl-4-(3-methylphenyl)piperidin-4-ol
CID 60894273
2-(3-chlorophenyl)-4-(piperazin-1-ylmethyl)-1,3-oxazole
CID 43348646
1-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-methylpiperidin-4-amine
CID 119923250
4-(3-methoxyphenyl)-1-(pyridin-4-ylmethyl)piperidin-4-ol
CID 1446411
4-(3-fluorophenyl)-1-(pyridin-4-ylmethyl)piperidin-4-ol
CID 645747

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-ol?
The IUPAC name of 4-(3-chlorophenyl)-1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-ol (CID 169137807) is 4-(3-chlorophenyl)-1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-ol.
What is the SMILES notation for 4-(3-chlorophenyl)-1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-ol?
The canonical SMILES for 4-(3-chlorophenyl)-1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-ol is Cc1nc(CN2CCC(O)(c3cccc(Cl)c3)CC2)co1.
What is the InChIKey of 4-(3-chlorophenyl)-1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-ol?
The InChIKey is DTETWZKHXPPBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2/c1-12-18-15(11-21-12)10-19-7-5-16(20,6-8-19)13-3-2-4-14(17)9-13/h2-4,9,11,20H,5-8,10H2,1H3.
What are the key properties of 4-(3-chlorophenyl)-1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-ol?
4-(3-chlorophenyl)-1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-ol has a molecular weight of 306.79 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-ol is sourced from PubChem (CID 169137807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).