3-methyl-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidin-4-ol

C16H20N2OS — CID 114502004

IUPAC3-methyl-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidin-4-ol
SMILESCC1CNCCC1(O)Cc1nc(-c2ccccc2)cs1
InChIInChI=1S/C16H20N2OS/c1-12-10-17-8-7-16(12,19)9-15-18-14(11-20-15)13-5-3-2-4-6-13/h2-6,11-12,17,19H,7-10H2,1H3
InChIKeyIAUPFZZLEXPTFB-UHFFFAOYSA-N
MW288.42 g/mol
LogP2.71
Rot. Bonds3

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

3-methyl-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidin-4-ol (PubChem CID 114502004) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 3-methyl-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name3-methyl-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidin-4-ol
PubChem CID114502004
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name3-methyl-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidin-4-ol
SMILESCC1CNCCC1(O)Cc1nc(-c2ccccc2)cs1
InChIInChI=1S/C16H20N2OS/c1-12-10-17-8-7-16(12,19)9-15-18-14(11-20-15)13-5-3-2-4-6-13/h2-6,11-12,17,19H,7-10H2,1H3
InChIKeyIAUPFZZLEXPTFB-UHFFFAOYSA-N
XLogP2.71
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidin-4-ol?
The IUPAC name of 3-methyl-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidin-4-ol (CID 114502004) is 3-methyl-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidin-4-ol.
What is the SMILES notation for 3-methyl-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidin-4-ol?
The canonical SMILES for 3-methyl-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidin-4-ol is CC1CNCCC1(O)Cc1nc(-c2ccccc2)cs1.
What is the InChIKey of 3-methyl-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidin-4-ol?
The InChIKey is IAUPFZZLEXPTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-12-10-17-8-7-16(12,19)9-15-18-14(11-20-15)13-5-3-2-4-6-13/h2-6,11-12,17,19H,7-10H2,1H3.
What are the key properties of 3-methyl-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidin-4-ol?
3-methyl-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidin-4-ol has a molecular weight of 288.42 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidin-4-ol is sourced from PubChem (CID 114502004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).