[1-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-3-(3-methoxypropyl)piperidin-3-yl]methanol

C16H28N2O2S — CID 72940800

IUPAC[1-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-3-(3-methoxypropyl)piperidin-3-yl]methanol
SMILESCOCCCC1(CO)CCCN(Cc2nc(C)sc2C)C1
InChIInChI=1S/C16H28N2O2S/c1-13-15(17-14(2)21-13)10-18-8-4-6-16(11-18,12-19)7-5-9-20-3/h19H,4-12H2,1-3H3
InChIKeyPSOQYUQQZAYNPR-UHFFFAOYSA-N
MW312.48 g/mol
LogP2.76
Rot. Bonds7

About [1-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-3-(3-methoxypropyl)piperidin-3-yl]methanol

[1-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-3-(3-methoxypropyl)piperidin-3-yl]methanol (PubChem CID 72940800) has the molecular formula C16H28N2O2S and a molecular weight of 312.48 g/mol. Its IUPAC name is [1-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-3-(3-methoxypropyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-3-(3-methoxypropyl)piperidin-3-yl]methanol
PubChem CID72940800
Molecular FormulaC16H28N2O2S
Molecular Weight312.48 g/mol
Exact Mass312.19
IUPAC Name[1-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-3-(3-methoxypropyl)piperidin-3-yl]methanol
SMILESCOCCCC1(CO)CCCN(Cc2nc(C)sc2C)C1
InChIInChI=1S/C16H28N2O2S/c1-13-15(17-14(2)21-13)10-18-8-4-6-16(11-18,12-19)7-5-9-20-3/h19H,4-12H2,1-3H3
InChIKeyPSOQYUQQZAYNPR-UHFFFAOYSA-N
XLogP2.76
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-3-(3-methoxypropyl)piperidin-3-yl]methanol?
The IUPAC name of [1-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-3-(3-methoxypropyl)piperidin-3-yl]methanol (CID 72940800) is [1-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-3-(3-methoxypropyl)piperidin-3-yl]methanol.
What is the SMILES notation for [1-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-3-(3-methoxypropyl)piperidin-3-yl]methanol?
The canonical SMILES for [1-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-3-(3-methoxypropyl)piperidin-3-yl]methanol is COCCCC1(CO)CCCN(Cc2nc(C)sc2C)C1.
What is the InChIKey of [1-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-3-(3-methoxypropyl)piperidin-3-yl]methanol?
The InChIKey is PSOQYUQQZAYNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2S/c1-13-15(17-14(2)21-13)10-18-8-4-6-16(11-18,12-19)7-5-9-20-3/h19H,4-12H2,1-3H3.
What are the key properties of [1-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-3-(3-methoxypropyl)piperidin-3-yl]methanol?
[1-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-3-(3-methoxypropyl)piperidin-3-yl]methanol has a molecular weight of 312.48 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-3-(3-methoxypropyl)piperidin-3-yl]methanol is sourced from PubChem (CID 72940800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).