1-cyclopentyl-3-[(3R,5S)-3,5-difluoropiperidin-1-yl]-1-phenylpropan-1-ol

C19H27F2NO — CID 134827932

IUPAC1-cyclopentyl-3-[(3R,5S)-3,5-difluoropiperidin-1-yl]-1-phenylpropan-1-ol
SMILESOC(CCN1C[C@H](F)C[C@H](F)C1)(c1ccccc1)C1CCCC1
InChIInChI=1S/C19H27F2NO/c20-17-12-18(21)14-22(13-17)11-10-19(23,16-8-4-5-9-16)15-6-2-1-3-7-15/h1-3,6-7,16-18,23H,4-5,8-14H2/t17-,18+,19?
InChIKeyUYYYKEIPXPOHHP-DFNIBXOVSA-N
MW323.43 g/mol
LogP3.84
Rot. Bonds5

About 1-cyclopentyl-3-[(3R,5S)-3,5-difluoropiperidin-1-yl]-1-phenylpropan-1-ol

1-cyclopentyl-3-[(3R,5S)-3,5-difluoropiperidin-1-yl]-1-phenylpropan-1-ol (PubChem CID 134827932) has the molecular formula C19H27F2NO and a molecular weight of 323.43 g/mol. Its IUPAC name is 1-cyclopentyl-3-[(3R,5S)-3,5-difluoropiperidin-1-yl]-1-phenylpropan-1-ol.

Molecular Properties

Compound Name1-cyclopentyl-3-[(3R,5S)-3,5-difluoropiperidin-1-yl]-1-phenylpropan-1-ol
PubChem CID134827932
Molecular FormulaC19H27F2NO
Molecular Weight323.43 g/mol
Exact Mass323.21
IUPAC Name1-cyclopentyl-3-[(3R,5S)-3,5-difluoropiperidin-1-yl]-1-phenylpropan-1-ol
SMILESOC(CCN1C[C@H](F)C[C@H](F)C1)(c1ccccc1)C1CCCC1
InChIInChI=1S/C19H27F2NO/c20-17-12-18(21)14-22(13-17)11-10-19(23,16-8-4-5-9-16)15-6-2-1-3-7-15/h1-3,6-7,16-18,23H,4-5,8-14H2/t17-,18+,19?
InChIKeyUYYYKEIPXPOHHP-DFNIBXOVSA-N
XLogP3.84
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.43
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Biperiden
CID 2381
Trihexyphenidyl
CID 5572
Procyclidine
CID 4919
Pridinol
CID 4904
Diphenidol
CID 3055
Trihexyphenidyl Hydrochloride
CID 66007
Azacyclonol
CID 15723
Diphenidol Hydrochloride
CID 66266
Biperiden Hydrochloride
CID 92151
Procyclidine hydrochloride
CID 207841
Cycrimine
CID 2911
Hexocyclium
CID 24199

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[(3R,5S)-3,5-difluoropiperidin-1-yl]-1-phenylpropan-1-ol?
The IUPAC name of 1-cyclopentyl-3-[(3R,5S)-3,5-difluoropiperidin-1-yl]-1-phenylpropan-1-ol (CID 134827932) is 1-cyclopentyl-3-[(3R,5S)-3,5-difluoropiperidin-1-yl]-1-phenylpropan-1-ol.
What is the SMILES notation for 1-cyclopentyl-3-[(3R,5S)-3,5-difluoropiperidin-1-yl]-1-phenylpropan-1-ol?
The canonical SMILES for 1-cyclopentyl-3-[(3R,5S)-3,5-difluoropiperidin-1-yl]-1-phenylpropan-1-ol is OC(CCN1C[C@H](F)C[C@H](F)C1)(c1ccccc1)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-[(3R,5S)-3,5-difluoropiperidin-1-yl]-1-phenylpropan-1-ol?
The InChIKey is UYYYKEIPXPOHHP-DFNIBXOVSA-N. The full InChI is InChI=1S/C19H27F2NO/c20-17-12-18(21)14-22(13-17)11-10-19(23,16-8-4-5-9-16)15-6-2-1-3-7-15/h1-3,6-7,16-18,23H,4-5,8-14H2/t17-,18+,19?.
What are the key properties of 1-cyclopentyl-3-[(3R,5S)-3,5-difluoropiperidin-1-yl]-1-phenylpropan-1-ol?
1-cyclopentyl-3-[(3R,5S)-3,5-difluoropiperidin-1-yl]-1-phenylpropan-1-ol has a molecular weight of 323.43 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[(3R,5S)-3,5-difluoropiperidin-1-yl]-1-phenylpropan-1-ol is sourced from PubChem (CID 134827932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).