[2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-1,3-thiazol-5-yl]methanol

C14H23N3OS — CID 63009431

IUPAC[2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-1,3-thiazol-5-yl]methanol
SMILESOCc1cnc(N2CCC(CN3CCCC3)CC2)s1
InChIInChI=1S/C14H23N3OS/c18-11-13-9-15-14(19-13)17-7-3-12(4-8-17)10-16-5-1-2-6-16/h9,12,18H,1-8,10-11H2
InChIKeyCXLOTCXFHUUDIY-UHFFFAOYSA-N
MW281.42 g/mol
LogP1.95
Rot. Bonds4

About [2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-1,3-thiazol-5-yl]methanol

[2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-1,3-thiazol-5-yl]methanol (PubChem CID 63009431) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is [2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-1,3-thiazol-5-yl]methanol
PubChem CID63009431
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC Name[2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-1,3-thiazol-5-yl]methanol
SMILESOCc1cnc(N2CCC(CN3CCCC3)CC2)s1
InChIInChI=1S/C14H23N3OS/c18-11-13-9-15-14(19-13)17-7-3-12(4-8-17)10-16-5-1-2-6-16/h9,12,18H,1-8,10-11H2
InChIKeyCXLOTCXFHUUDIY-UHFFFAOYSA-N
XLogP1.95
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-[2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-1,3-thiazol-5-yl]methanamine
CID 63009426
(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methanol
CID 62753317
[2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazol-5-yl]methanol
CID 62753857
[2-(4-ethoxypiperidin-1-yl)-1,3-thiazol-5-yl]methanol
CID 62753514
[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol
CID 62754344
[4-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-1,3-thiazol-5-yl]methanol
CID 63009952
[4-[[(3R)-1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol
CID 97118512
5-(piperidin-1-ylmethyl)-2-pyrrolidin-1-yl-1,3-thiazole
CID 118472763
[2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methanol
CID 62754366
[2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol
CID 62754360
[2-(4-butan-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol
CID 55116778
[2-(2,3-dimethylpiperidin-1-yl)-1,3-thiazol-5-yl]methanol
CID 62752644

Frequently Asked Questions

What is the IUPAC name of [2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-1,3-thiazol-5-yl]methanol (CID 63009431) is [2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-1,3-thiazol-5-yl]methanol is OCc1cnc(N2CCC(CN3CCCC3)CC2)s1.
What is the InChIKey of [2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-1,3-thiazol-5-yl]methanol?
The InChIKey is CXLOTCXFHUUDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c18-11-13-9-15-14(19-13)17-7-3-12(4-8-17)10-16-5-1-2-6-16/h9,12,18H,1-8,10-11H2.
What are the key properties of [2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-1,3-thiazol-5-yl]methanol?
[2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-1,3-thiazol-5-yl]methanol has a molecular weight of 281.42 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 63009431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).