2,6-dimethoxy-4-[[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenol

C23H27N3O3 — CID 56750158

IUPAC2,6-dimethoxy-4-[[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenol
SMILESCOc1cc(CN2CCC(c3[nH]ncc3-c3ccccc3)CC2)cc(OC)c1O
InChIInChI=1S/C23H27N3O3/c1-28-20-12-16(13-21(29-2)23(20)27)15-26-10-8-18(9-11-26)22-19(14-24-25-22)17-6-4-3-5-7-17/h3-7,12-14,18,27H,8-11,15H2,1-2H3,(H,24,25)
InChIKeyPCYTUVSOLICTBN-UHFFFAOYSA-N
MW393.49 g/mol
LogP4.18
Rot. Bonds6

About 2,6-dimethoxy-4-[[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenol

2,6-dimethoxy-4-[[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenol (PubChem CID 56750158) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 2,6-dimethoxy-4-[[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenol.

Molecular Properties

Compound Name2,6-dimethoxy-4-[[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenol
PubChem CID56750158
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name2,6-dimethoxy-4-[[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenol
SMILESCOc1cc(CN2CCC(c3[nH]ncc3-c3ccccc3)CC2)cc(OC)c1O
InChIInChI=1S/C23H27N3O3/c1-28-20-12-16(13-21(29-2)23(20)27)15-26-10-8-18(9-11-26)22-19(14-24-25-22)17-6-4-3-5-7-17/h3-7,12-14,18,27H,8-11,15H2,1-2H3,(H,24,25)
InChIKeyPCYTUVSOLICTBN-UHFFFAOYSA-N
XLogP4.18
TPSA70.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-6-[[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]phenol
CID 42431673
4-[[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]benzoic acid
CID 56741084
1-ethyl-4-(4-phenyl-1H-pyrazol-5-yl)piperidine
CID 70765763
2-methoxy-6-[[4-[4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]methyl]phenol
CID 42165144
1-benzyl-4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 42479344
N-[4-[[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]phenyl]acetamide
CID 42479585
1-benzyl-4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidine
CID 42165171
2,6-dimethoxy-4-[(4-phenylpiperazin-1-yl)methyl]phenol
CID 791376
5-[[(3R)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-2-methoxyphenol
CID 42276354
(3R)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-[(3,4-dimethoxyphenyl)methyl]piperidine
CID 26350738
2-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]acetic acid
CID 56741273
2-(methoxymethyl)-5-[[4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyrimidine
CID 70705801

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-4-[[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenol?
The IUPAC name of 2,6-dimethoxy-4-[[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenol (CID 56750158) is 2,6-dimethoxy-4-[[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenol.
What is the SMILES notation for 2,6-dimethoxy-4-[[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenol?
The canonical SMILES for 2,6-dimethoxy-4-[[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenol is COc1cc(CN2CCC(c3[nH]ncc3-c3ccccc3)CC2)cc(OC)c1O.
What is the InChIKey of 2,6-dimethoxy-4-[[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenol?
The InChIKey is PCYTUVSOLICTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-28-20-12-16(13-21(29-2)23(20)27)15-26-10-8-18(9-11-26)22-19(14-24-25-22)17-6-4-3-5-7-17/h3-7,12-14,18,27H,8-11,15H2,1-2H3,(H,24,25).
What are the key properties of 2,6-dimethoxy-4-[[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenol?
2,6-dimethoxy-4-[[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenol has a molecular weight of 393.49 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-4-[[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenol is sourced from PubChem (CID 56750158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).