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

C18H25N3OS — CID 110905918

IUPAC[1-[4-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]phenyl]piperidin-4-yl]methanol
SMILESCc1ncc(CNCc2ccc(N3CCC(CO)CC3)cc2)s1
InChIInChI=1S/C18H25N3OS/c1-14-20-12-18(23-14)11-19-10-15-2-4-17(5-3-15)21-8-6-16(13-22)7-9-21/h2-5,12,16,19,22H,6-11,13H2,1H3
InChIKeyGWACITCVMAUWKG-UHFFFAOYSA-N
MW331.49 g/mol
LogP2.95
Rot. Bonds6

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

[1-[4-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]phenyl]piperidin-4-yl]methanol (PubChem CID 110905918) has the molecular formula C18H25N3OS and a molecular weight of 331.49 g/mol. Its IUPAC name is [1-[4-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]phenyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[4-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]phenyl]piperidin-4-yl]methanol
PubChem CID110905918
Molecular FormulaC18H25N3OS
Molecular Weight331.49 g/mol
Exact Mass331.17
IUPAC Name[1-[4-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]phenyl]piperidin-4-yl]methanol
SMILESCc1ncc(CNCc2ccc(N3CCC(CO)CC3)cc2)s1
InChIInChI=1S/C18H25N3OS/c1-14-20-12-18(23-14)11-19-10-15-2-4-17(5-3-15)21-8-6-16(13-22)7-9-21/h2-5,12,16,19,22H,6-11,13H2,1H3
InChIKeyGWACITCVMAUWKG-UHFFFAOYSA-N
XLogP2.95
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.49
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(2-Methyl-1,3-thiazol-5-yl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol
CID 16189930
{4-Benzyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl}methanol
CID 16192306
2-{1-(3-Methylbutyl)-4-[(2-phenyl-1,3-thiazol-5-yl)methyl]-2-piperazinyl}ethanol
CID 16189781
2-{1-Isopropyl-4-[(2-phenyl-1,3-thiazol-5-yl)methyl]-2-piperazinyl}ethanol
CID 16190452
2-{1-(4-Methylbenzyl)-4-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-piperazinyl}ethanol
CID 16187369
2-{1-Benzyl-4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-2-yl}ethanol
CID 16188931
2-{1-(3-Methyl-2-buten-1-yl)-4-[(2-phenyl-1,3-thiazol-5-yl)methyl]-2-piperazinyl}ethanol
CID 16188966
2-{1-(4-Fluorobenzyl)-4-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-piperazinyl}ethanol
CID 16192359
[1-[(2-Methyl-1,3-thiazol-5-yl)methyl]-4-(3-phenylpropyl)-4-piperidinyl]methanol
CID 42244523
2-{1-(2-Fluorobenzyl)-4-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-piperazinyl}ethanol
CID 45182970
2-{1-(3,4-Difluorobenzyl)-4-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-piperazinyl}ethanol
CID 56709351
2-[(2S)-1-methyl-4-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperazin-2-yl]ethanol
CID 92764625

Frequently Asked Questions

What is the IUPAC name of [1-[4-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]phenyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[4-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]phenyl]piperidin-4-yl]methanol (CID 110905918) is [1-[4-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]phenyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[4-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]phenyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[4-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]phenyl]piperidin-4-yl]methanol is Cc1ncc(CNCc2ccc(N3CCC(CO)CC3)cc2)s1.
What is the InChIKey of [1-[4-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]phenyl]piperidin-4-yl]methanol?
The InChIKey is GWACITCVMAUWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3OS/c1-14-20-12-18(23-14)11-19-10-15-2-4-17(5-3-15)21-8-6-16(13-22)7-9-21/h2-5,12,16,19,22H,6-11,13H2,1H3.
What are the key properties of [1-[4-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]phenyl]piperidin-4-yl]methanol?
[1-[4-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]phenyl]piperidin-4-yl]methanol has a molecular weight of 331.49 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]phenyl]piperidin-4-yl]methanol is sourced from PubChem (CID 110905918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).