[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol

C13H22N2OS — CID 60726486

IUPAC[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol
SMILESCCCc1nc(CN2CCCC(CO)C2)cs1
InChIInChI=1S/C13H22N2OS/c1-2-4-13-14-12(10-17-13)8-15-6-3-5-11(7-15)9-16/h10-11,16H,2-9H2,1H3
InChIKeyDPVNHYLCPNEXBT-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.30
Rot. Bonds5

About [1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol

[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol (PubChem CID 60726486) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is [1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol
PubChem CID60726486
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol
SMILESCCCc1nc(CN2CCCC(CO)C2)cs1
InChIInChI=1S/C13H22N2OS/c1-2-4-13-14-12(10-17-13)8-15-6-3-5-11(7-15)9-16/h10-11,16H,2-9H2,1H3
InChIKeyDPVNHYLCPNEXBT-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol?
The IUPAC name of [1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol (CID 60726486) is [1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol is CCCc1nc(CN2CCCC(CO)C2)cs1.
What is the InChIKey of [1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol?
The InChIKey is DPVNHYLCPNEXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-2-4-13-14-12(10-17-13)8-15-6-3-5-11(7-15)9-16/h10-11,16H,2-9H2,1H3.
What are the key properties of [1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol?
[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol has a molecular weight of 254.40 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 60726486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).