[1-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(3-phenylpropyl)piperidin-4-yl]methanol

C20H28N2OS — CID 42244523

IUPAC[1-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(3-phenylpropyl)piperidin-4-yl]methanol
SMILESCc1ncc(CN2CCC(CO)(CCCc3ccccc3)CC2)s1
InChIInChI=1S/C20H28N2OS/c1-17-21-14-19(24-17)15-22-12-10-20(16-23,11-13-22)9-5-8-18-6-3-2-4-7-18/h2-4,6-7,14,23H,5,8-13,15-16H2,1H3
InChIKeyOASOCFXPKYFLON-UHFFFAOYSA-N
MW344.52 g/mol
LogP4.05
Rot. Bonds7

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

[1-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(3-phenylpropyl)piperidin-4-yl]methanol (PubChem CID 42244523) has the molecular formula C20H28N2OS and a molecular weight of 344.52 g/mol. Its IUPAC name is [1-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(3-phenylpropyl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(3-phenylpropyl)piperidin-4-yl]methanol
PubChem CID42244523
Molecular FormulaC20H28N2OS
Molecular Weight344.52 g/mol
Exact Mass344.19
IUPAC Name[1-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(3-phenylpropyl)piperidin-4-yl]methanol
SMILESCc1ncc(CN2CCC(CO)(CCCc3ccccc3)CC2)s1
InChIInChI=1S/C20H28N2OS/c1-17-21-14-19(24-17)15-22-12-10-20(16-23,11-13-22)9-5-8-18-6-3-2-4-7-18/h2-4,6-7,14,23H,5,8-13,15-16H2,1H3
InChIKeyOASOCFXPKYFLON-UHFFFAOYSA-N
XLogP4.05
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.52
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol
CID 26405340
[1-[(6-methyl-2-pyridinyl)methyl]-4-(3-phenylpropyl)piperidin-4-yl]methanol
CID 42095166
[1-[(4-methoxyphenyl)methyl]-4-(3-phenylpropyl)piperidin-4-yl]methanol
CID 42558104
[4-(3-phenylpropyl)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]methanol
CID 42513645
1-[4-[[4-(hydroxymethyl)-4-(3-phenylpropyl)piperidin-1-yl]methyl]thiophen-2-yl]ethanone
CID 26319393
2-[[4-(hydroxymethyl)-4-(3-phenylpropyl)piperidin-1-yl]methyl]-5-methoxyphenol
CID 42288726
1-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol
CID 113339911
3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-ol
CID 103728480
[4-(2-phenoxyethyl)-1-(2-phenylethyl)piperidin-4-yl]methanol
CID 126461306
1-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-2-phenylsulfanylethanone
CID 122135601
[4-[(2-methyl-1,3-thiazol-5-yl)methyl]oxan-4-yl]methanol
CID 66025414
5-[[3,5-bis[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,5-triazinan-1-yl]methyl]-2-methyl-1,3-thiazole
CID 59815005

Frequently Asked Questions

What is the IUPAC name of [1-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(3-phenylpropyl)piperidin-4-yl]methanol?
The IUPAC name of [1-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(3-phenylpropyl)piperidin-4-yl]methanol (CID 42244523) is [1-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(3-phenylpropyl)piperidin-4-yl]methanol.
What is the SMILES notation for [1-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(3-phenylpropyl)piperidin-4-yl]methanol?
The canonical SMILES for [1-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(3-phenylpropyl)piperidin-4-yl]methanol is Cc1ncc(CN2CCC(CO)(CCCc3ccccc3)CC2)s1.
What is the InChIKey of [1-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(3-phenylpropyl)piperidin-4-yl]methanol?
The InChIKey is OASOCFXPKYFLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2OS/c1-17-21-14-19(24-17)15-22-12-10-20(16-23,11-13-22)9-5-8-18-6-3-2-4-7-18/h2-4,6-7,14,23H,5,8-13,15-16H2,1H3.
What are the key properties of [1-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(3-phenylpropyl)piperidin-4-yl]methanol?
[1-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(3-phenylpropyl)piperidin-4-yl]methanol has a molecular weight of 344.52 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(3-phenylpropyl)piperidin-4-yl]methanol is sourced from PubChem (CID 42244523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).