[3-propyl-1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]methanol

C13H22N2OS — CID 70759213

IUPAC[3-propyl-1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]methanol
SMILESCCCC1(CO)CCCN(Cc2cscn2)C1
InChIInChI=1S/C13H22N2OS/c1-2-4-13(10-16)5-3-6-15(9-13)7-12-8-17-11-14-12/h8,11,16H,2-7,9-10H2,1H3
InChIKeyYMTFUPQIHBBMDA-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.52
Rot. Bonds5

About [3-propyl-1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]methanol

[3-propyl-1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]methanol (PubChem CID 70759213) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is [3-propyl-1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[3-propyl-1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]methanol
PubChem CID70759213
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name[3-propyl-1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]methanol
SMILESCCCC1(CO)CCCN(Cc2cscn2)C1
InChIInChI=1S/C13H22N2OS/c1-2-4-13(10-16)5-3-6-15(9-13)7-12-8-17-11-14-12/h8,11,16H,2-7,9-10H2,1H3
InChIKeyYMTFUPQIHBBMDA-UHFFFAOYSA-N
XLogP2.52
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-propyl-1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]methanol?
The IUPAC name of [3-propyl-1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]methanol (CID 70759213) is [3-propyl-1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]methanol.
What is the SMILES notation for [3-propyl-1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]methanol?
The canonical SMILES for [3-propyl-1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]methanol is CCCC1(CO)CCCN(Cc2cscn2)C1.
What is the InChIKey of [3-propyl-1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]methanol?
The InChIKey is YMTFUPQIHBBMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-2-4-13(10-16)5-3-6-15(9-13)7-12-8-17-11-14-12/h8,11,16H,2-7,9-10H2,1H3.
What are the key properties of [3-propyl-1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]methanol?
[3-propyl-1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]methanol has a molecular weight of 254.40 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-propyl-1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]methanol is sourced from PubChem (CID 70759213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).