(1R,2R,4S)-4-[(4-fluorophenyl)methoxy]-2-(4-methyl-4-phenylpiperidin-1-yl)cyclohexan-1-ol

C25H32FNO2 — CID 11610976

IUPAC(1R,2R,4S)-4-[(4-fluorophenyl)methoxy]-2-(4-methyl-4-phenylpiperidin-1-yl)cyclohexan-1-ol
SMILESCC1(c2ccccc2)CCN([C@@H]2C[C@@H](OCc3ccc(F)cc3)CC[C@H]2O)CC1
InChIInChI=1S/C25H32FNO2/c1-25(20-5-3-2-4-6-20)13-15-27(16-14-25)23-17-22(11-12-24(23)28)29-18-19-7-9-21(26)10-8-19/h2-10,22-24,28H,11-18H2,1H3/t22-,23+,24+/m0/s1
InChIKeyPETCAGIBHUAOTH-RBZQAINGSA-N
MW397.53 g/mol
LogP4.68
Rot. Bonds5

About (1R,2R,4S)-4-[(4-fluorophenyl)methoxy]-2-(4-methyl-4-phenylpiperidin-1-yl)cyclohexan-1-ol

(1R,2R,4S)-4-[(4-fluorophenyl)methoxy]-2-(4-methyl-4-phenylpiperidin-1-yl)cyclohexan-1-ol (PubChem CID 11610976) has the molecular formula C25H32FNO2 and a molecular weight of 397.53 g/mol. Its IUPAC name is (1R,2R,4S)-4-[(4-fluorophenyl)methoxy]-2-(4-methyl-4-phenylpiperidin-1-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name(1R,2R,4S)-4-[(4-fluorophenyl)methoxy]-2-(4-methyl-4-phenylpiperidin-1-yl)cyclohexan-1-ol
PubChem CID11610976
Molecular FormulaC25H32FNO2
Molecular Weight397.53 g/mol
Exact Mass397.24
IUPAC Name(1R,2R,4S)-4-[(4-fluorophenyl)methoxy]-2-(4-methyl-4-phenylpiperidin-1-yl)cyclohexan-1-ol
SMILESCC1(c2ccccc2)CCN([C@@H]2C[C@@H](OCc3ccc(F)cc3)CC[C@H]2O)CC1
InChIInChI=1S/C25H32FNO2/c1-25(20-5-3-2-4-6-20)13-15-27(16-14-25)23-17-22(11-12-24(23)28)29-18-19-7-9-21(26)10-8-19/h2-10,22-24,28H,11-18H2,1H3/t22-,23+,24+/m0/s1
InChIKeyPETCAGIBHUAOTH-RBZQAINGSA-N
XLogP4.68
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.53
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,4S)-4-[(4-fluorophenyl)methoxy]-2-(4-methyl-4-phenylpiperidin-1-yl)cyclohexan-1-ol?
The IUPAC name of (1R,2R,4S)-4-[(4-fluorophenyl)methoxy]-2-(4-methyl-4-phenylpiperidin-1-yl)cyclohexan-1-ol (CID 11610976) is (1R,2R,4S)-4-[(4-fluorophenyl)methoxy]-2-(4-methyl-4-phenylpiperidin-1-yl)cyclohexan-1-ol.
What is the SMILES notation for (1R,2R,4S)-4-[(4-fluorophenyl)methoxy]-2-(4-methyl-4-phenylpiperidin-1-yl)cyclohexan-1-ol?
The canonical SMILES for (1R,2R,4S)-4-[(4-fluorophenyl)methoxy]-2-(4-methyl-4-phenylpiperidin-1-yl)cyclohexan-1-ol is CC1(c2ccccc2)CCN([C@@H]2C[C@@H](OCc3ccc(F)cc3)CC[C@H]2O)CC1.
What is the InChIKey of (1R,2R,4S)-4-[(4-fluorophenyl)methoxy]-2-(4-methyl-4-phenylpiperidin-1-yl)cyclohexan-1-ol?
The InChIKey is PETCAGIBHUAOTH-RBZQAINGSA-N. The full InChI is InChI=1S/C25H32FNO2/c1-25(20-5-3-2-4-6-20)13-15-27(16-14-25)23-17-22(11-12-24(23)28)29-18-19-7-9-21(26)10-8-19/h2-10,22-24,28H,11-18H2,1H3/t22-,23+,24+/m0/s1.
What are the key properties of (1R,2R,4S)-4-[(4-fluorophenyl)methoxy]-2-(4-methyl-4-phenylpiperidin-1-yl)cyclohexan-1-ol?
(1R,2R,4S)-4-[(4-fluorophenyl)methoxy]-2-(4-methyl-4-phenylpiperidin-1-yl)cyclohexan-1-ol has a molecular weight of 397.53 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4S)-4-[(4-fluorophenyl)methoxy]-2-(4-methyl-4-phenylpiperidin-1-yl)cyclohexan-1-ol is sourced from PubChem (CID 11610976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).