3,3-difluoro-1-[(1S,2S)-2-phenylcyclopropyl]piperidin-4-ol

C14H17F2NO — CID 164638965

IUPAC3,3-difluoro-1-[(1S,2S)-2-phenylcyclopropyl]piperidin-4-ol
SMILESOC1CCN([C@H]2C[C@H]2c2ccccc2)CC1(F)F
InChIInChI=1S/C14H17F2NO/c15-14(16)9-17(7-6-13(14)18)12-8-11(12)10-4-2-1-3-5-10/h1-5,11-13,18H,6-9H2/t11-,12-,13?/m0/s1
InChIKeyHNVWOZADURJWIA-VYAYZGMFSA-N
MW253.29 g/mol
LogP2.24
Rot. Bonds2

About 3,3-difluoro-1-[(1S,2S)-2-phenylcyclopropyl]piperidin-4-ol

3,3-difluoro-1-[(1S,2S)-2-phenylcyclopropyl]piperidin-4-ol (PubChem CID 164638965) has the molecular formula C14H17F2NO and a molecular weight of 253.29 g/mol. Its IUPAC name is 3,3-difluoro-1-[(1S,2S)-2-phenylcyclopropyl]piperidin-4-ol.

Molecular Properties

Compound Name3,3-difluoro-1-[(1S,2S)-2-phenylcyclopropyl]piperidin-4-ol
PubChem CID164638965
Molecular FormulaC14H17F2NO
Molecular Weight253.29 g/mol
Exact Mass253.13
IUPAC Name3,3-difluoro-1-[(1S,2S)-2-phenylcyclopropyl]piperidin-4-ol
SMILESOC1CCN([C@H]2C[C@H]2c2ccccc2)CC1(F)F
InChIInChI=1S/C14H17F2NO/c15-14(16)9-17(7-6-13(14)18)12-8-11(12)10-4-2-1-3-5-10/h1-5,11-13,18H,6-9H2/t11-,12-,13?/m0/s1
InChIKeyHNVWOZADURJWIA-VYAYZGMFSA-N
XLogP2.24
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-Phenylethyl)-4-piperidinol
CID 77055
1-(2-Phenylpropyl)piperidin-4-ol
CID 2846178
(1R,6R)-6-(4-phenylpiperidin-1-yl)cyclohex-3-en-1-ol
CID 44450421
1-(4-Phenyl-piperidin-1-yl)-butan-2-ol
CID 3078235
US11214540, Example 6
CID 142475158
US11214540, Example 13
CID 142475191
US11214540, Example 7
CID 155138855
threo-N-ethylritalinol hydrochloride
CID 16719767
3-(4-Benzylpiperidin-1-yl)-1,1,1-trifluoropropan-2-ol
CID 3811822
2-(4-Benzylpiperidin-1-yl)propan-1-ol
CID 15104692
US11214540, Example 38
CID 142475099
1-[3-Methyl-3-[4-(trifluoromethyl)phenyl]butyl]piperidin-4-ol
CID 142475175

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-[(1S,2S)-2-phenylcyclopropyl]piperidin-4-ol?
The IUPAC name of 3,3-difluoro-1-[(1S,2S)-2-phenylcyclopropyl]piperidin-4-ol (CID 164638965) is 3,3-difluoro-1-[(1S,2S)-2-phenylcyclopropyl]piperidin-4-ol.
What is the SMILES notation for 3,3-difluoro-1-[(1S,2S)-2-phenylcyclopropyl]piperidin-4-ol?
The canonical SMILES for 3,3-difluoro-1-[(1S,2S)-2-phenylcyclopropyl]piperidin-4-ol is OC1CCN([C@H]2C[C@H]2c2ccccc2)CC1(F)F.
What is the InChIKey of 3,3-difluoro-1-[(1S,2S)-2-phenylcyclopropyl]piperidin-4-ol?
The InChIKey is HNVWOZADURJWIA-VYAYZGMFSA-N. The full InChI is InChI=1S/C14H17F2NO/c15-14(16)9-17(7-6-13(14)18)12-8-11(12)10-4-2-1-3-5-10/h1-5,11-13,18H,6-9H2/t11-,12-,13?/m0/s1.
What are the key properties of 3,3-difluoro-1-[(1S,2S)-2-phenylcyclopropyl]piperidin-4-ol?
3,3-difluoro-1-[(1S,2S)-2-phenylcyclopropyl]piperidin-4-ol has a molecular weight of 253.29 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-[(1S,2S)-2-phenylcyclopropyl]piperidin-4-ol is sourced from PubChem (CID 164638965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).