4-[1-[[4-(hydroxymethyl)-4-phenylpiperidin-1-yl]methyl]cyclobutyl]phenol

C23H29NO2 — CID 71167298

IUPAC4-[1-[[4-(hydroxymethyl)-4-phenylpiperidin-1-yl]methyl]cyclobutyl]phenol
SMILESOCC1(c2ccccc2)CCN(CC2(c3ccc(O)cc3)CCC2)CC1
InChIInChI=1S/C23H29NO2/c25-18-23(19-5-2-1-3-6-19)13-15-24(16-14-23)17-22(11-4-12-22)20-7-9-21(26)10-8-20/h1-3,5-10,25-26H,4,11-18H2
InChIKeyHZRPJRNVZBKXQE-UHFFFAOYSA-N
MW351.49 g/mol
LogP3.84
Rot. Bonds5

About 4-[1-[[4-(hydroxymethyl)-4-phenylpiperidin-1-yl]methyl]cyclobutyl]phenol

4-[1-[[4-(hydroxymethyl)-4-phenylpiperidin-1-yl]methyl]cyclobutyl]phenol (PubChem CID 71167298) has the molecular formula C23H29NO2 and a molecular weight of 351.49 g/mol. Its IUPAC name is 4-[1-[[4-(hydroxymethyl)-4-phenylpiperidin-1-yl]methyl]cyclobutyl]phenol.

Molecular Properties

Compound Name4-[1-[[4-(hydroxymethyl)-4-phenylpiperidin-1-yl]methyl]cyclobutyl]phenol
PubChem CID71167298
Molecular FormulaC23H29NO2
Molecular Weight351.49 g/mol
Exact Mass351.22
IUPAC Name4-[1-[[4-(hydroxymethyl)-4-phenylpiperidin-1-yl]methyl]cyclobutyl]phenol
SMILESOCC1(c2ccccc2)CCN(CC2(c3ccc(O)cc3)CCC2)CC1
InChIInChI=1S/C23H29NO2/c25-18-23(19-5-2-1-3-6-19)13-15-24(16-14-23)17-22(11-4-12-22)20-7-9-21(26)10-8-20/h1-3,5-10,25-26H,4,11-18H2
InChIKeyHZRPJRNVZBKXQE-UHFFFAOYSA-N
XLogP3.84
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-[[4-[(diaminoamino)methyl]-4-phenylpiperidin-1-yl]methyl]cyclobutyl]phenol
CID 71194753
4-[1-(hydroxymethyl)cyclopropyl]phenol
CID 10877457
1-tert-butyl-4-[(4,4-difluoropiperidin-1-yl)methyl]-4-phenylpiperidine
CID 118531544
4-[4-[(4-fluorophenyl)methyl]phenyl]-1-[(1-phenylcyclopropyl)methyl]piperidin-4-ol
CID 23383920
[1-(2-cyclohexyl-2-phenylethyl)-4-phenylpiperidin-4-yl]methanol;hydrochloride
CID 155569830
tert-butyl-[2-[1-[[1-(4-chlorophenyl)cyclobutyl]methyl]-4-phenylpiperidin-4-yl]propan-2-yloxy]silane
CID 154124238
(3S)-3-(phenoxymethyl)-1-[(1-phenylcyclobutyl)methyl]piperidine
CID 129386848
oxalic acid;[4-phenyl-1-(3,3,3-triphenylpropyl)piperidin-4-yl]methanol
CID 70619039
1-[(3-phenyloxolan-3-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol
CID 77088633
[1-[4-(dimethylamino)phenyl]cyclobutyl]methanol
CID 83687412
2-[1-(azetidin-1-ylmethyl)cyclopropyl]phenol
CID 115023091
[4-[4-(trifluoromethyl)phenyl]-1-(3,3,3-triphenylpropyl)piperidin-4-yl]methanol
CID 18520141

Frequently Asked Questions

What is the IUPAC name of 4-[1-[[4-(hydroxymethyl)-4-phenylpiperidin-1-yl]methyl]cyclobutyl]phenol?
The IUPAC name of 4-[1-[[4-(hydroxymethyl)-4-phenylpiperidin-1-yl]methyl]cyclobutyl]phenol (CID 71167298) is 4-[1-[[4-(hydroxymethyl)-4-phenylpiperidin-1-yl]methyl]cyclobutyl]phenol.
What is the SMILES notation for 4-[1-[[4-(hydroxymethyl)-4-phenylpiperidin-1-yl]methyl]cyclobutyl]phenol?
The canonical SMILES for 4-[1-[[4-(hydroxymethyl)-4-phenylpiperidin-1-yl]methyl]cyclobutyl]phenol is OCC1(c2ccccc2)CCN(CC2(c3ccc(O)cc3)CCC2)CC1.
What is the InChIKey of 4-[1-[[4-(hydroxymethyl)-4-phenylpiperidin-1-yl]methyl]cyclobutyl]phenol?
The InChIKey is HZRPJRNVZBKXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO2/c25-18-23(19-5-2-1-3-6-19)13-15-24(16-14-23)17-22(11-4-12-22)20-7-9-21(26)10-8-20/h1-3,5-10,25-26H,4,11-18H2.
What are the key properties of 4-[1-[[4-(hydroxymethyl)-4-phenylpiperidin-1-yl]methyl]cyclobutyl]phenol?
4-[1-[[4-(hydroxymethyl)-4-phenylpiperidin-1-yl]methyl]cyclobutyl]phenol has a molecular weight of 351.49 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[4-(hydroxymethyl)-4-phenylpiperidin-1-yl]methyl]cyclobutyl]phenol is sourced from PubChem (CID 71167298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).