(4R,5R)-7-[1-(4-fluorophenyl)piperidin-4-yl]-7-azaspiro[4.5]decan-4-ol

C20H29FN2O — CID 135117835

IUPAC(4R,5R)-7-[1-(4-fluorophenyl)piperidin-4-yl]-7-azaspiro[4.5]decan-4-ol
SMILESO[C@@H]1CCC[C@]12CCCN(C1CCN(c3ccc(F)cc3)CC1)C2
InChIInChI=1S/C20H29FN2O/c21-16-4-6-17(7-5-16)22-13-8-18(9-14-22)23-12-2-11-20(15-23)10-1-3-19(20)24/h4-7,18-19,24H,1-3,8-15H2/t19-,20-/m1/s1
InChIKeyCADULRHPGXXYNQ-WOJBJXKFSA-N
MW332.46 g/mol
LogP3.42
Rot. Bonds2

About (4R,5R)-7-[1-(4-fluorophenyl)piperidin-4-yl]-7-azaspiro[4.5]decan-4-ol

(4R,5R)-7-[1-(4-fluorophenyl)piperidin-4-yl]-7-azaspiro[4.5]decan-4-ol (PubChem CID 135117835) has the molecular formula C20H29FN2O and a molecular weight of 332.46 g/mol. Its IUPAC name is (4R,5R)-7-[1-(4-fluorophenyl)piperidin-4-yl]-7-azaspiro[4.5]decan-4-ol.

Molecular Properties

Compound Name(4R,5R)-7-[1-(4-fluorophenyl)piperidin-4-yl]-7-azaspiro[4.5]decan-4-ol
PubChem CID135117835
Molecular FormulaC20H29FN2O
Molecular Weight332.46 g/mol
Exact Mass332.23
IUPAC Name(4R,5R)-7-[1-(4-fluorophenyl)piperidin-4-yl]-7-azaspiro[4.5]decan-4-ol
SMILESO[C@@H]1CCC[C@]12CCCN(C1CCN(c3ccc(F)cc3)CC1)C2
InChIInChI=1S/C20H29FN2O/c21-16-4-6-17(7-5-16)22-13-8-18(9-14-22)23-12-2-11-20(15-23)10-1-3-19(20)24/h4-7,18-19,24H,1-3,8-15H2/t19-,20-/m1/s1
InChIKeyCADULRHPGXXYNQ-WOJBJXKFSA-N
XLogP3.42
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.46
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R,5R)-4-methoxy-7-[1-(4-methylphenyl)piperidin-4-yl]-7-azaspiro[4.5]decane
CID 135109711
1-(1-cyclobutylpiperidin-3-yl)-4-(4-fluorophenyl)piperazine
CID 45211866
(4R,5S)-4-methoxy-7-[1-(3-methoxyphenyl)piperidin-4-yl]-7-azaspiro[4.5]decane
CID 135108773
(4R,5R)-7-[(4-fluoro-2-methoxyphenyl)methyl]-7-azaspiro[4.5]decan-4-ol
CID 165424895
1-[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]-1,4-diazepane
CID 125041821
1-(4-fluorophenyl)piperidin-4-amine;hydrochloride
CID 53442031
4-(azetidin-1-yl)-1-phenylpiperidine
CID 174605037
1-(4-fluorophenyl)-4-[(3R)-3-prop-2-enoxypyrrolidin-1-yl]piperidine
CID 89357819
[(3S)-3-(2-methoxyethyl)-1-(1-phenylpiperidin-4-yl)piperidin-3-yl]methanol
CID 97130641
1-(4-fluorophenyl)-4,6-dimethyl-1,5-diazocane
CID 54973091
4-(4-piperidin-1-ylpiperidin-1-yl)benzenesulfonic acid
CID 22146992
1-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]ethanone
CID 143437550

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-7-[1-(4-fluorophenyl)piperidin-4-yl]-7-azaspiro[4.5]decan-4-ol?
The IUPAC name of (4R,5R)-7-[1-(4-fluorophenyl)piperidin-4-yl]-7-azaspiro[4.5]decan-4-ol (CID 135117835) is (4R,5R)-7-[1-(4-fluorophenyl)piperidin-4-yl]-7-azaspiro[4.5]decan-4-ol.
What is the SMILES notation for (4R,5R)-7-[1-(4-fluorophenyl)piperidin-4-yl]-7-azaspiro[4.5]decan-4-ol?
The canonical SMILES for (4R,5R)-7-[1-(4-fluorophenyl)piperidin-4-yl]-7-azaspiro[4.5]decan-4-ol is O[C@@H]1CCC[C@]12CCCN(C1CCN(c3ccc(F)cc3)CC1)C2.
What is the InChIKey of (4R,5R)-7-[1-(4-fluorophenyl)piperidin-4-yl]-7-azaspiro[4.5]decan-4-ol?
The InChIKey is CADULRHPGXXYNQ-WOJBJXKFSA-N. The full InChI is InChI=1S/C20H29FN2O/c21-16-4-6-17(7-5-16)22-13-8-18(9-14-22)23-12-2-11-20(15-23)10-1-3-19(20)24/h4-7,18-19,24H,1-3,8-15H2/t19-,20-/m1/s1.
What are the key properties of (4R,5R)-7-[1-(4-fluorophenyl)piperidin-4-yl]-7-azaspiro[4.5]decan-4-ol?
(4R,5R)-7-[1-(4-fluorophenyl)piperidin-4-yl]-7-azaspiro[4.5]decan-4-ol has a molecular weight of 332.46 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-7-[1-(4-fluorophenyl)piperidin-4-yl]-7-azaspiro[4.5]decan-4-ol is sourced from PubChem (CID 135117835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).