[2-[(3S)-3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-1,3-thiazol-4-yl]methanol

C17H22N2O3S — CID 97271520

IUPAC[2-[(3S)-3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-1,3-thiazol-4-yl]methanol
SMILESCOc1ccc(OC[C@H]2CCCN(c3nc(CO)cs3)C2)cc1
InChIInChI=1S/C17H22N2O3S/c1-21-15-4-6-16(7-5-15)22-11-13-3-2-8-19(9-13)17-18-14(10-20)12-23-17/h4-7,12-13,20H,2-3,8-11H2,1H3/t13-/m0/s1
InChIKeyVUXXOBRNTQCLGA-ZDUSSCGKSA-N
MW334.44 g/mol
LogP2.94
Rot. Bonds6

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

[2-[(3S)-3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-1,3-thiazol-4-yl]methanol (PubChem CID 97271520) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is [2-[(3S)-3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-1,3-thiazol-4-yl]methanol.

Molecular Properties

Compound Name[2-[(3S)-3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-1,3-thiazol-4-yl]methanol
PubChem CID97271520
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC Name[2-[(3S)-3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-1,3-thiazol-4-yl]methanol
SMILESCOc1ccc(OC[C@H]2CCCN(c3nc(CO)cs3)C2)cc1
InChIInChI=1S/C17H22N2O3S/c1-21-15-4-6-16(7-5-15)22-11-13-3-2-8-19(9-13)17-18-14(10-20)12-23-17/h4-7,12-13,20H,2-3,8-11H2,1H3/t13-/m0/s1
InChIKeyVUXXOBRNTQCLGA-ZDUSSCGKSA-N
XLogP2.94
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[(3S)-3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-1,3-thiazol-4-yl]methanol with MolForge

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Related Compounds

2-[3-(chloromethyl)piperidin-1-yl]-4-ethyl-1,3-thiazole
CID 63392700
2-[3-(bromomethyl)piperidin-1-yl]-4-ethyl-1,3-thiazole
CID 80673929
[2-[3-(methoxymethyl)pyrrolidin-1-yl]-1,3-thiazol-4-yl]methanamine
CID 64581632
4-(chloromethyl)-2-(3-methylpiperidin-1-yl)-1,3-thiazole
CID 43532074
3-methoxy-1-[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]propan-1-one
CID 70716586
5-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-1,3,4-thiadiazol-2-amine
CID 146040538
[2-[(3S)-3-[(4-methylphenoxy)methyl]piperidin-1-yl]quinolin-3-yl]methanol
CID 97438095
[6-[3-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]methanol
CID 106588319
6-[(4-fluorophenoxy)methyl]-4-[1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]piperidin-4-yl]morpholin-3-one
CID 154571931
[2-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-1,3-thiazol-4-yl]methanol
CID 97119602
2-(4-methoxyphenyl)-N-[[(3R)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide
CID 99875704
(3S,4S)-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-methylpiperidine-3,4-diol
CID 74232019

Frequently Asked Questions

What is the IUPAC name of [2-[(3S)-3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-1,3-thiazol-4-yl]methanol?
The IUPAC name of [2-[(3S)-3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-1,3-thiazol-4-yl]methanol (CID 97271520) is [2-[(3S)-3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-1,3-thiazol-4-yl]methanol.
What is the SMILES notation for [2-[(3S)-3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-1,3-thiazol-4-yl]methanol?
The canonical SMILES for [2-[(3S)-3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-1,3-thiazol-4-yl]methanol is COc1ccc(OC[C@H]2CCCN(c3nc(CO)cs3)C2)cc1.
What is the InChIKey of [2-[(3S)-3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-1,3-thiazol-4-yl]methanol?
The InChIKey is VUXXOBRNTQCLGA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-21-15-4-6-16(7-5-15)22-11-13-3-2-8-19(9-13)17-18-14(10-20)12-23-17/h4-7,12-13,20H,2-3,8-11H2,1H3/t13-/m0/s1.
What are the key properties of [2-[(3S)-3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-1,3-thiazol-4-yl]methanol?
[2-[(3S)-3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-1,3-thiazol-4-yl]methanol has a molecular weight of 334.44 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3S)-3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-1,3-thiazol-4-yl]methanol is sourced from PubChem (CID 97271520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).