4-(4-chlorophenyl)-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-4-ol

C17H21ClN2OS — CID 3021512

IUPAC4-(4-chlorophenyl)-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-4-ol
SMILESCc1ncsc1CCN1CCC(O)(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H21ClN2OS/c1-13-16(22-12-19-13)6-9-20-10-7-17(21,8-11-20)14-2-4-15(18)5-3-14/h2-5,12,21H,6-11H2,1H3
InChIKeyRXFMDWBBABCMIP-UHFFFAOYSA-N
MW336.89 g/mol
LogP3.63
Rot. Bonds4

About 4-(4-chlorophenyl)-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-4-ol

4-(4-chlorophenyl)-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-4-ol (PubChem CID 3021512) has the molecular formula C17H21ClN2OS and a molecular weight of 336.89 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-4-ol.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-4-ol
PubChem CID3021512
Molecular FormulaC17H21ClN2OS
Molecular Weight336.89 g/mol
Exact Mass336.11
IUPAC Name4-(4-chlorophenyl)-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-4-ol
SMILESCc1ncsc1CCN1CCC(O)(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H21ClN2OS/c1-13-16(22-12-19-13)6-9-20-10-7-17(21,8-11-20)14-2-4-15(18)5-3-14/h2-5,12,21H,6-11H2,1H3
InChIKeyRXFMDWBBABCMIP-UHFFFAOYSA-N
XLogP3.63
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.89
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-4-ol?
The IUPAC name of 4-(4-chlorophenyl)-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-4-ol (CID 3021512) is 4-(4-chlorophenyl)-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-4-ol.
What is the SMILES notation for 4-(4-chlorophenyl)-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-4-ol?
The canonical SMILES for 4-(4-chlorophenyl)-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-4-ol is Cc1ncsc1CCN1CCC(O)(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-(4-chlorophenyl)-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-4-ol?
The InChIKey is RXFMDWBBABCMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2OS/c1-13-16(22-12-19-13)6-9-20-10-7-17(21,8-11-20)14-2-4-15(18)5-3-14/h2-5,12,21H,6-11H2,1H3.
What are the key properties of 4-(4-chlorophenyl)-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-4-ol?
4-(4-chlorophenyl)-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-4-ol has a molecular weight of 336.89 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-4-ol is sourced from PubChem (CID 3021512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).