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

C16H20N2OS — CID 136572670

IUPAC[5-[4-(piperidin-1-ylmethyl)phenyl]-1,3-thiazol-4-yl]methanol
SMILESOCc1ncsc1-c1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C16H20N2OS/c19-11-15-16(20-12-17-15)14-6-4-13(5-7-14)10-18-8-2-1-3-9-18/h4-7,12,19H,1-3,8-11H2
InChIKeyBRNRHWHNYWYTEV-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.29
Rot. Bonds4

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

[5-[4-(piperidin-1-ylmethyl)phenyl]-1,3-thiazol-4-yl]methanol (PubChem CID 136572670) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is [5-[4-(piperidin-1-ylmethyl)phenyl]-1,3-thiazol-4-yl]methanol.

Molecular Properties

Compound Name[5-[4-(piperidin-1-ylmethyl)phenyl]-1,3-thiazol-4-yl]methanol
PubChem CID136572670
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name[5-[4-(piperidin-1-ylmethyl)phenyl]-1,3-thiazol-4-yl]methanol
SMILESOCc1ncsc1-c1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C16H20N2OS/c19-11-15-16(20-12-17-15)14-6-4-13(5-7-14)10-18-8-2-1-3-9-18/h4-7,12,19H,1-3,8-11H2
InChIKeyBRNRHWHNYWYTEV-UHFFFAOYSA-N
XLogP3.29
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-methylphenyl)methyl]azepane
CID 3951815
2-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,3-thiazole
CID 151399077
ethane;1-[(4-methylphenyl)methyl]piperidine
CID 143603243
3-[4-(piperidin-1-ylmethyl)phenyl]-1,2-thiazole
CID 138045615
4-(piperidin-1-ylmethyl)-1,3-thiazole-5-carboxylic acid
CID 117214301
2-[4-[4-(piperidin-1-ylmethyl)phenyl]pyrazol-1-yl]-1,3-thiazole
CID 166247279
4-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]morpholine
CID 44588214
1-[[4-[4-(2-piperidin-1-ylethyl)phenyl]phenyl]methyl]piperidine
CID 25147728
4-(piperidin-1-ylmethyl)benzenethiol
CID 46785612
4-(azacyclododec-1-ylmethyl)aniline
CID 70405299
1-benzylazepane
CID 10954328
4-methyl-2-[4-(piperidin-1-ylmethyl)phenyl]-1,3-thiazole-5-carboxylic acid
CID 39161115

Frequently Asked Questions

What is the IUPAC name of [5-[4-(piperidin-1-ylmethyl)phenyl]-1,3-thiazol-4-yl]methanol?
The IUPAC name of [5-[4-(piperidin-1-ylmethyl)phenyl]-1,3-thiazol-4-yl]methanol (CID 136572670) is [5-[4-(piperidin-1-ylmethyl)phenyl]-1,3-thiazol-4-yl]methanol.
What is the SMILES notation for [5-[4-(piperidin-1-ylmethyl)phenyl]-1,3-thiazol-4-yl]methanol?
The canonical SMILES for [5-[4-(piperidin-1-ylmethyl)phenyl]-1,3-thiazol-4-yl]methanol is OCc1ncsc1-c1ccc(CN2CCCCC2)cc1.
What is the InChIKey of [5-[4-(piperidin-1-ylmethyl)phenyl]-1,3-thiazol-4-yl]methanol?
The InChIKey is BRNRHWHNYWYTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c19-11-15-16(20-12-17-15)14-6-4-13(5-7-14)10-18-8-2-1-3-9-18/h4-7,12,19H,1-3,8-11H2.
What are the key properties of [5-[4-(piperidin-1-ylmethyl)phenyl]-1,3-thiazol-4-yl]methanol?
[5-[4-(piperidin-1-ylmethyl)phenyl]-1,3-thiazol-4-yl]methanol has a molecular weight of 288.42 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-(piperidin-1-ylmethyl)phenyl]-1,3-thiazol-4-yl]methanol is sourced from PubChem (CID 136572670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).