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

C16H26N2OS — CID 70746431

IUPAC[3-(cyclopropylmethyl)-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol
SMILESCCc1nc(CN2CCCC(CO)(CC3CC3)C2)cs1
InChIInChI=1S/C16H26N2OS/c1-2-15-17-14(10-20-15)9-18-7-3-6-16(11-18,12-19)8-13-4-5-13/h10,13,19H,2-9,11-12H2,1H3
InChIKeyKCXLOESVJSXCNA-UHFFFAOYSA-N
MW294.46 g/mol
LogP3.08
Rot. Bonds6

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

[3-(cyclopropylmethyl)-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol (PubChem CID 70746431) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is [3-(cyclopropylmethyl)-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[3-(cyclopropylmethyl)-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol
PubChem CID70746431
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC Name[3-(cyclopropylmethyl)-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol
SMILESCCc1nc(CN2CCCC(CO)(CC3CC3)C2)cs1
InChIInChI=1S/C16H26N2OS/c1-2-15-17-14(10-20-15)9-18-7-3-6-16(11-18,12-19)8-13-4-5-13/h10,13,19H,2-9,11-12H2,1H3
InChIKeyKCXLOESVJSXCNA-UHFFFAOYSA-N
XLogP3.08
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(cyclopropylmethyl)-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol?
The IUPAC name of [3-(cyclopropylmethyl)-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol (CID 70746431) is [3-(cyclopropylmethyl)-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [3-(cyclopropylmethyl)-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol?
The canonical SMILES for [3-(cyclopropylmethyl)-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol is CCc1nc(CN2CCCC(CO)(CC3CC3)C2)cs1.
What is the InChIKey of [3-(cyclopropylmethyl)-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol?
The InChIKey is KCXLOESVJSXCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-2-15-17-14(10-20-15)9-18-7-3-6-16(11-18,12-19)8-13-4-5-13/h10,13,19H,2-9,11-12H2,1H3.
What are the key properties of [3-(cyclopropylmethyl)-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol?
[3-(cyclopropylmethyl)-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol has a molecular weight of 294.46 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cyclopropylmethyl)-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 70746431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).