[3-(3-methoxypropyl)-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]methanol

C14H24N2O2S — CID 72938969

IUPAC[3-(3-methoxypropyl)-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]methanol
SMILESCOCCCC1(CO)CCCN(Cc2nccs2)C1
InChIInChI=1S/C14H24N2O2S/c1-18-8-3-5-14(12-17)4-2-7-16(11-14)10-13-15-6-9-19-13/h6,9,17H,2-5,7-8,10-12H2,1H3
InChIKeyRSKQGPMNAOKDRC-UHFFFAOYSA-N
MW284.42 g/mol
LogP2.14
Rot. Bonds7

About [3-(3-methoxypropyl)-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]methanol

[3-(3-methoxypropyl)-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]methanol (PubChem CID 72938969) has the molecular formula C14H24N2O2S and a molecular weight of 284.42 g/mol. Its IUPAC name is [3-(3-methoxypropyl)-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[3-(3-methoxypropyl)-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]methanol
PubChem CID72938969
Molecular FormulaC14H24N2O2S
Molecular Weight284.42 g/mol
Exact Mass284.16
IUPAC Name[3-(3-methoxypropyl)-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]methanol
SMILESCOCCCC1(CO)CCCN(Cc2nccs2)C1
InChIInChI=1S/C14H24N2O2S/c1-18-8-3-5-14(12-17)4-2-7-16(11-14)10-13-15-6-9-19-13/h6,9,17H,2-5,7-8,10-12H2,1H3
InChIKeyRSKQGPMNAOKDRC-UHFFFAOYSA-N
XLogP2.14
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 52.14
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 [3-(3-methoxypropyl)-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]methanol?
The IUPAC name of [3-(3-methoxypropyl)-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]methanol (CID 72938969) is [3-(3-methoxypropyl)-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]methanol.
What is the SMILES notation for [3-(3-methoxypropyl)-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]methanol?
The canonical SMILES for [3-(3-methoxypropyl)-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]methanol is COCCCC1(CO)CCCN(Cc2nccs2)C1.
What is the InChIKey of [3-(3-methoxypropyl)-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]methanol?
The InChIKey is RSKQGPMNAOKDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-18-8-3-5-14(12-17)4-2-7-16(11-14)10-13-15-6-9-19-13/h6,9,17H,2-5,7-8,10-12H2,1H3.
What are the key properties of [3-(3-methoxypropyl)-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]methanol?
[3-(3-methoxypropyl)-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]methanol has a molecular weight of 284.42 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methoxypropyl)-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]methanol is sourced from PubChem (CID 72938969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).