1-(4-fluorophenyl)-4-(3-methylpyrrolidin-1-yl)cyclohexan-1-ol

C17H24FNO — CID 20668518

IUPAC1-(4-fluorophenyl)-4-(3-methylpyrrolidin-1-yl)cyclohexan-1-ol
SMILESCC1CCN(C2CCC(O)(c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C17H24FNO/c1-13-8-11-19(12-13)16-6-9-17(20,10-7-16)14-2-4-15(18)5-3-14/h2-5,13,16,20H,6-12H2,1H3
InChIKeyRKDKNQLUTCDTRW-UHFFFAOYSA-N
MW277.38 g/mol
LogP3.30
Rot. Bonds2

About 1-(4-fluorophenyl)-4-(3-methylpyrrolidin-1-yl)cyclohexan-1-ol

1-(4-fluorophenyl)-4-(3-methylpyrrolidin-1-yl)cyclohexan-1-ol (PubChem CID 20668518) has the molecular formula C17H24FNO and a molecular weight of 277.38 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-(3-methylpyrrolidin-1-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-(3-methylpyrrolidin-1-yl)cyclohexan-1-ol
PubChem CID20668518
Molecular FormulaC17H24FNO
Molecular Weight277.38 g/mol
Exact Mass277.18
IUPAC Name1-(4-fluorophenyl)-4-(3-methylpyrrolidin-1-yl)cyclohexan-1-ol
SMILESCC1CCN(C2CCC(O)(c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C17H24FNO/c1-13-8-11-19(12-13)16-6-9-17(20,10-7-16)14-2-4-15(18)5-3-14/h2-5,13,16,20H,6-12H2,1H3
InChIKeyRKDKNQLUTCDTRW-UHFFFAOYSA-N
XLogP3.30
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.38
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;4-(3-methylpyrrolidin-1-yl)-1-phenylcyclohexan-1-ol
CID 91168784
4-(4-benzylpiperazin-1-yl)-1-(4-fluorophenyl)cyclohexan-1-ol
CID 22122113
4-[(3R)-3-aminopyrrolidin-1-yl]-1-(4-chlorophenyl)cyclohexan-1-ol
CID 141093177
1,4-bis(4-fluorophenyl)cyclohexane-1,4-diol
CID 10709619
3-[1-[4-(4-fluorophenyl)-4-hydroxycyclohexyl]piperidin-4-yl]-1H-benzimidazol-2-one;hydrochloride
CID 12834387
1-tert-butyl-4-(4-fluorophenyl)piperidin-4-ol
CID 58721778
3-(4-fluorophenyl)-6-methylthian-3-ol
CID 131251161
(3S,6R)-3-(4-fluorophenyl)-6-methylthian-3-ol
CID 125427250
cis-(1R,4S)-1,4-bis(4-fluorophenyl)cycloheptane-1,4-diol
CID 101158460
(1S,5S)-8-[2,2-dimethyl-3-(4-methylpiperidin-1-yl)propyl]-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 98137112
(3S,4R)-1-[4-(4-fluorophenyl)-4-isocyanocyclohexyl]-3-methyl-4-phenylpiperidine-4-carboxylic acid
CID 140945186
1-[4,4-bis(4-fluorophenyl)cyclohexyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 3045888

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-(3-methylpyrrolidin-1-yl)cyclohexan-1-ol?
The IUPAC name of 1-(4-fluorophenyl)-4-(3-methylpyrrolidin-1-yl)cyclohexan-1-ol (CID 20668518) is 1-(4-fluorophenyl)-4-(3-methylpyrrolidin-1-yl)cyclohexan-1-ol.
What is the SMILES notation for 1-(4-fluorophenyl)-4-(3-methylpyrrolidin-1-yl)cyclohexan-1-ol?
The canonical SMILES for 1-(4-fluorophenyl)-4-(3-methylpyrrolidin-1-yl)cyclohexan-1-ol is CC1CCN(C2CCC(O)(c3ccc(F)cc3)CC2)C1.
What is the InChIKey of 1-(4-fluorophenyl)-4-(3-methylpyrrolidin-1-yl)cyclohexan-1-ol?
The InChIKey is RKDKNQLUTCDTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO/c1-13-8-11-19(12-13)16-6-9-17(20,10-7-16)14-2-4-15(18)5-3-14/h2-5,13,16,20H,6-12H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-4-(3-methylpyrrolidin-1-yl)cyclohexan-1-ol?
1-(4-fluorophenyl)-4-(3-methylpyrrolidin-1-yl)cyclohexan-1-ol has a molecular weight of 277.38 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-(3-methylpyrrolidin-1-yl)cyclohexan-1-ol is sourced from PubChem (CID 20668518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).