4-[4-[(4-fluorophenyl)methyl]phenyl]-1-[(1-phenylcyclopropyl)methyl]piperidin-4-ol

C28H30FNO — CID 23383920

IUPAC4-[4-[(4-fluorophenyl)methyl]phenyl]-1-[(1-phenylcyclopropyl)methyl]piperidin-4-ol
SMILESOC1(c2ccc(Cc3ccc(F)cc3)cc2)CCN(CC2(c3ccccc3)CC2)CC1
InChIInChI=1S/C28H30FNO/c29-26-12-8-23(9-13-26)20-22-6-10-25(11-7-22)28(31)16-18-30(19-17-28)21-27(14-15-27)24-4-2-1-3-5-24/h1-13,31H,14-21H2
InChIKeyXCVZNQDBJYMPSB-UHFFFAOYSA-N
MW415.55 g/mol
LogP5.43
Rot. Bonds6

About 4-[4-[(4-fluorophenyl)methyl]phenyl]-1-[(1-phenylcyclopropyl)methyl]piperidin-4-ol

4-[4-[(4-fluorophenyl)methyl]phenyl]-1-[(1-phenylcyclopropyl)methyl]piperidin-4-ol (PubChem CID 23383920) has the molecular formula C28H30FNO and a molecular weight of 415.55 g/mol. Its IUPAC name is 4-[4-[(4-fluorophenyl)methyl]phenyl]-1-[(1-phenylcyclopropyl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[4-[(4-fluorophenyl)methyl]phenyl]-1-[(1-phenylcyclopropyl)methyl]piperidin-4-ol
PubChem CID23383920
Molecular FormulaC28H30FNO
Molecular Weight415.55 g/mol
Exact Mass415.23
IUPAC Name4-[4-[(4-fluorophenyl)methyl]phenyl]-1-[(1-phenylcyclopropyl)methyl]piperidin-4-ol
SMILESOC1(c2ccc(Cc3ccc(F)cc3)cc2)CCN(CC2(c3ccccc3)CC2)CC1
InChIInChI=1S/C28H30FNO/c29-26-12-8-23(9-13-26)20-22-6-10-25(11-7-22)28(31)16-18-30(19-17-28)21-27(14-15-27)24-4-2-1-3-5-24/h1-13,31H,14-21H2
InChIKeyXCVZNQDBJYMPSB-UHFFFAOYSA-N
XLogP5.43
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.55
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-[(4-fluorophenyl)methyl]phenyl]-1-[(1-phenylcyclopropyl)methyl]piperidine
CID 18794493
1-benzyl-4-(4-fluorophenyl)piperidin-4-ol;hydrochloride
CID 71627119
1-[[1-(4-fluorophenyl)cyclopropyl]methyl]piperazine
CID 82129251
CID 22888263
CID 22888263
1-[3-[3-(4-fluorophenyl)-1-phenylpiperidin-3-yl]propyl]-4-phenylpiperidin-4-ol
CID 173319576
4-(4-benzylphenyl)piperidin-4-ol
CID 15057300
4-(4-fluorophenyl)-1-[(2S)-2-hydroxy-2-(4-phenylphenyl)ethyl]piperidin-4-ol
CID 51501336
1-benzyl-4-(3,5-difluorophenyl)piperidin-4-ol
CID 139966182
1-(4-fluorophenyl)-4-(4-hydroxy-4-phenylpiperidin-1-yl)butan-1-one;hydrochloride
CID 13277351
tert-butyl 4-[4-[(4-fluorophenyl)methyl]phenyl]-4-hydroxypiperidine-1-carboxylate
CID 22599961
1,4-bis(4-fluorophenyl)cyclohexane-1,4-diol
CID 10709619
N-[2-(4-fluorophenyl)ethyl]-2-(3-hydroxy-3-phenylpyrrolidin-1-yl)acetamide
CID 50960793

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4-fluorophenyl)methyl]phenyl]-1-[(1-phenylcyclopropyl)methyl]piperidin-4-ol?
The IUPAC name of 4-[4-[(4-fluorophenyl)methyl]phenyl]-1-[(1-phenylcyclopropyl)methyl]piperidin-4-ol (CID 23383920) is 4-[4-[(4-fluorophenyl)methyl]phenyl]-1-[(1-phenylcyclopropyl)methyl]piperidin-4-ol.
What is the SMILES notation for 4-[4-[(4-fluorophenyl)methyl]phenyl]-1-[(1-phenylcyclopropyl)methyl]piperidin-4-ol?
The canonical SMILES for 4-[4-[(4-fluorophenyl)methyl]phenyl]-1-[(1-phenylcyclopropyl)methyl]piperidin-4-ol is OC1(c2ccc(Cc3ccc(F)cc3)cc2)CCN(CC2(c3ccccc3)CC2)CC1.
What is the InChIKey of 4-[4-[(4-fluorophenyl)methyl]phenyl]-1-[(1-phenylcyclopropyl)methyl]piperidin-4-ol?
The InChIKey is XCVZNQDBJYMPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30FNO/c29-26-12-8-23(9-13-26)20-22-6-10-25(11-7-22)28(31)16-18-30(19-17-28)21-27(14-15-27)24-4-2-1-3-5-24/h1-13,31H,14-21H2.
What are the key properties of 4-[4-[(4-fluorophenyl)methyl]phenyl]-1-[(1-phenylcyclopropyl)methyl]piperidin-4-ol?
4-[4-[(4-fluorophenyl)methyl]phenyl]-1-[(1-phenylcyclopropyl)methyl]piperidin-4-ol has a molecular weight of 415.55 g/mol, XLogP of 5.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(4-fluorophenyl)methyl]phenyl]-1-[(1-phenylcyclopropyl)methyl]piperidin-4-ol is sourced from PubChem (CID 23383920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).