(1R,2R,5S)-5-(3-fluoropropoxy)-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol

C20H30FNO2 — CID 122181072

IUPAC(1R,2R,5S)-5-(3-fluoropropoxy)-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol
SMILESO[C@@H]1C[C@@H](OCCCF)CC[C@H]1N1CCC(c2ccccc2)CC1
InChIInChI=1S/C20H30FNO2/c21-11-4-14-24-18-7-8-19(20(23)15-18)22-12-9-17(10-13-22)16-5-2-1-3-6-16/h1-3,5-6,17-20,23H,4,7-15H2/t18-,19+,20+/m0/s1
InChIKeyKRYVMGGFGDVMQS-XUVXKRRUSA-N
MW335.46 g/mol
LogP3.52
Rot. Bonds6

About (1R,2R,5S)-5-(3-fluoropropoxy)-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol

(1R,2R,5S)-5-(3-fluoropropoxy)-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol (PubChem CID 122181072) has the molecular formula C20H30FNO2 and a molecular weight of 335.46 g/mol. Its IUPAC name is (1R,2R,5S)-5-(3-fluoropropoxy)-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name(1R,2R,5S)-5-(3-fluoropropoxy)-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol
PubChem CID122181072
Molecular FormulaC20H30FNO2
Molecular Weight335.46 g/mol
Exact Mass335.23
IUPAC Name(1R,2R,5S)-5-(3-fluoropropoxy)-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol
SMILESO[C@@H]1C[C@@H](OCCCF)CC[C@H]1N1CCC(c2ccccc2)CC1
InChIInChI=1S/C20H30FNO2/c21-11-4-14-24-18-7-8-19(20(23)15-18)22-12-9-17(10-13-22)16-5-2-1-3-6-16/h1-3,5-6,17-20,23H,4,7-15H2/t18-,19+,20+/m0/s1
InChIKeyKRYVMGGFGDVMQS-XUVXKRRUSA-N
XLogP3.52
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.46
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(-)-Vesamicol
CID 659840
Vesamicol
CID 5662
Vesamicol hydrochloride
CID 212231
(1S,2S)-2-(4-Phenyl-1-piperidinyl)cyclohexanol
CID 833992
(+/-)-Vesamicol hydrochloride
CID 6603219
Cyclohexanol, 2-(4-(phenylmethyl)-1-piperidinyl)-, trans-(+-)-
CID 3078230
[3H]vesamicol
CID 54580503
Tocris-0653
CID 833995
1-(2-Hydroxy-cyclohexyl)-4-phenyl-piperidin-3-ol
CID 15925755
2-(4-Benzyl-piperidin-1-yl)-cyclohexanol
CID 15925766
2-[4-(3-Phenyl-propyl)-piperidin-1-yl]-cyclohexanol
CID 15925767
4-Hydroxymethyl-2-(4-phenyl-piperidin-1-yl)-cyclohexanol
CID 15925902

Frequently Asked Questions

What is the IUPAC name of (1R,2R,5S)-5-(3-fluoropropoxy)-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol?
The IUPAC name of (1R,2R,5S)-5-(3-fluoropropoxy)-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol (CID 122181072) is (1R,2R,5S)-5-(3-fluoropropoxy)-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol.
What is the SMILES notation for (1R,2R,5S)-5-(3-fluoropropoxy)-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol?
The canonical SMILES for (1R,2R,5S)-5-(3-fluoropropoxy)-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol is O[C@@H]1C[C@@H](OCCCF)CC[C@H]1N1CCC(c2ccccc2)CC1.
What is the InChIKey of (1R,2R,5S)-5-(3-fluoropropoxy)-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol?
The InChIKey is KRYVMGGFGDVMQS-XUVXKRRUSA-N. The full InChI is InChI=1S/C20H30FNO2/c21-11-4-14-24-18-7-8-19(20(23)15-18)22-12-9-17(10-13-22)16-5-2-1-3-6-16/h1-3,5-6,17-20,23H,4,7-15H2/t18-,19+,20+/m0/s1.
What are the key properties of (1R,2R,5S)-5-(3-fluoropropoxy)-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol?
(1R,2R,5S)-5-(3-fluoropropoxy)-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol has a molecular weight of 335.46 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,5S)-5-(3-fluoropropoxy)-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol is sourced from PubChem (CID 122181072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).