2-methoxy-6-[[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]phenol

C23H27N3O2 — CID 42431673

IUPAC2-methoxy-6-[[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]phenol
SMILESCOc1cccc(CN2CCC(c3[nH]ncc3-c3cccc(C)c3)CC2)c1O
InChIInChI=1S/C23H27N3O2/c1-16-5-3-6-18(13-16)20-14-24-25-22(20)17-9-11-26(12-10-17)15-19-7-4-8-21(28-2)23(19)27/h3-8,13-14,17,27H,9-12,15H2,1-2H3,(H,24,25)
InChIKeyUUQVRSSJQQTJCU-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.48
Rot. Bonds5

About 2-methoxy-6-[[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]phenol

2-methoxy-6-[[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]phenol (PubChem CID 42431673) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 2-methoxy-6-[[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]phenol.

Molecular Properties

Compound Name2-methoxy-6-[[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]phenol
PubChem CID42431673
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name2-methoxy-6-[[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]phenol
SMILESCOc1cccc(CN2CCC(c3[nH]ncc3-c3cccc(C)c3)CC2)c1O
InChIInChI=1S/C23H27N3O2/c1-16-5-3-6-18(13-16)20-14-24-25-22(20)17-9-11-26(12-10-17)15-19-7-4-8-21(28-2)23(19)27/h3-8,13-14,17,27H,9-12,15H2,1-2H3,(H,24,25)
InChIKeyUUQVRSSJQQTJCU-UHFFFAOYSA-N
XLogP4.48
TPSA61.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-6-[[4-[4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]methyl]phenol
CID 42165144
2,6-dimethoxy-4-[[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenol
CID 56750158
2-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]acetic acid
CID 56741273
2-[[3-[4-(2,5-difluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-6-methoxyphenol
CID 45228936
2-[[(3R)-3-[4-(2,5-difluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-6-methoxyphenol
CID 42472821
4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]-1-[[(3S)-oxolan-3-yl]methyl]piperidine
CID 95202871
4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidine
CID 42431676
6-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyrimidin-4-amine
CID 56711059
[1-(methoxymethyl)cyclobutyl]-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 70769822
[3-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-oxopropyl]urea
CID 56738385
N-[4-[[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]phenyl]acetamide
CID 42479585
(3S)-1-[(2,6-dimethoxyphenyl)methyl]-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidine
CID 29087992

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]phenol?
The IUPAC name of 2-methoxy-6-[[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]phenol (CID 42431673) is 2-methoxy-6-[[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]phenol.
What is the SMILES notation for 2-methoxy-6-[[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]phenol?
The canonical SMILES for 2-methoxy-6-[[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]phenol is COc1cccc(CN2CCC(c3[nH]ncc3-c3cccc(C)c3)CC2)c1O.
What is the InChIKey of 2-methoxy-6-[[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]phenol?
The InChIKey is UUQVRSSJQQTJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-16-5-3-6-18(13-16)20-14-24-25-22(20)17-9-11-26(12-10-17)15-19-7-4-8-21(28-2)23(19)27/h3-8,13-14,17,27H,9-12,15H2,1-2H3,(H,24,25).
What are the key properties of 2-methoxy-6-[[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]phenol?
2-methoxy-6-[[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]phenol has a molecular weight of 377.49 g/mol, XLogP of 4.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]phenol is sourced from PubChem (CID 42431673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).