(3S,4S)-1-[(4,4-difluorocyclohexyl)methyl]-4-phenylpiperidine-3,4-diol

C18H25F2NO2 — CID 162632619

IUPAC(3S,4S)-1-[(4,4-difluorocyclohexyl)methyl]-4-phenylpiperidine-3,4-diol
SMILESO[C@H]1CN(CC2CCC(F)(F)CC2)CC[C@]1(O)c1ccccc1
InChIInChI=1S/C18H25F2NO2/c19-17(20)8-6-14(7-9-17)12-21-11-10-18(23,16(22)13-21)15-4-2-1-3-5-15/h1-5,14,16,22-23H,6-13H2/t16-,18-/m0/s1
InChIKeyPYMAIJPOOJKNGB-WMZOPIPTSA-N
MW325.40 g/mol
LogP2.77
Rot. Bonds3

About (3S,4S)-1-[(4,4-difluorocyclohexyl)methyl]-4-phenylpiperidine-3,4-diol

(3S,4S)-1-[(4,4-difluorocyclohexyl)methyl]-4-phenylpiperidine-3,4-diol (PubChem CID 162632619) has the molecular formula C18H25F2NO2 and a molecular weight of 325.40 g/mol. Its IUPAC name is (3S,4S)-1-[(4,4-difluorocyclohexyl)methyl]-4-phenylpiperidine-3,4-diol.

Molecular Properties

Compound Name(3S,4S)-1-[(4,4-difluorocyclohexyl)methyl]-4-phenylpiperidine-3,4-diol
PubChem CID162632619
Molecular FormulaC18H25F2NO2
Molecular Weight325.40 g/mol
Exact Mass325.19
IUPAC Name(3S,4S)-1-[(4,4-difluorocyclohexyl)methyl]-4-phenylpiperidine-3,4-diol
SMILESO[C@H]1CN(CC2CCC(F)(F)CC2)CC[C@]1(O)c1ccccc1
InChIInChI=1S/C18H25F2NO2/c19-17(20)8-6-14(7-9-17)12-21-11-10-18(23,16(22)13-21)15-4-2-1-3-5-15/h1-5,14,16,22-23H,6-13H2/t16-,18-/m0/s1
InChIKeyPYMAIJPOOJKNGB-WMZOPIPTSA-N
XLogP2.77
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.40
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropylmethyl)-4-phenylpiperidin-4-ol
CID 3064338
(3S,4S)-3,4-dihydroxy-4-phenylpiperidine-1-carboxylic acid
CID 67332578
1-benzyl-3-methyl-4-phenylpiperidin-4-ol
CID 3829784
tert-butyl 3,4-dihydroxy-4-phenylpiperidine-1-carboxylate
CID 20870871
1-[(2,2-diphenylcyclopropyl)methyl]-4,4-difluoropiperidine
CID 77095627
1-(cyclopropylmethyl)-3-methyl-4-phenyl-4-propylpiperidine
CID 57002707
ethyl 3,4-dihydroxy-4-(3-phenylphenyl)piperidine-1-carboxylate
CID 77310302
(3S,4S)-1-(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-4-phenylpiperidine-3,4-diol
CID 163305992
3-ethyl-1-methyl-4-phenylpiperidin-4-ol
CID 2838203
3-(2-fluorophenyl)-1-methyl-4-phenylpiperidin-4-ol
CID 13469603
(3S,4S)-3-(2-fluorophenyl)-1-methyl-4-phenylpiperidin-4-ol
CID 54168039
(3R,4S)-1-benzyl-4-methylpiperidine-3,4-diol
CID 69059860

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-[(4,4-difluorocyclohexyl)methyl]-4-phenylpiperidine-3,4-diol?
The IUPAC name of (3S,4S)-1-[(4,4-difluorocyclohexyl)methyl]-4-phenylpiperidine-3,4-diol (CID 162632619) is (3S,4S)-1-[(4,4-difluorocyclohexyl)methyl]-4-phenylpiperidine-3,4-diol.
What is the SMILES notation for (3S,4S)-1-[(4,4-difluorocyclohexyl)methyl]-4-phenylpiperidine-3,4-diol?
The canonical SMILES for (3S,4S)-1-[(4,4-difluorocyclohexyl)methyl]-4-phenylpiperidine-3,4-diol is O[C@H]1CN(CC2CCC(F)(F)CC2)CC[C@]1(O)c1ccccc1.
What is the InChIKey of (3S,4S)-1-[(4,4-difluorocyclohexyl)methyl]-4-phenylpiperidine-3,4-diol?
The InChIKey is PYMAIJPOOJKNGB-WMZOPIPTSA-N. The full InChI is InChI=1S/C18H25F2NO2/c19-17(20)8-6-14(7-9-17)12-21-11-10-18(23,16(22)13-21)15-4-2-1-3-5-15/h1-5,14,16,22-23H,6-13H2/t16-,18-/m0/s1.
What are the key properties of (3S,4S)-1-[(4,4-difluorocyclohexyl)methyl]-4-phenylpiperidine-3,4-diol?
(3S,4S)-1-[(4,4-difluorocyclohexyl)methyl]-4-phenylpiperidine-3,4-diol has a molecular weight of 325.40 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-[(4,4-difluorocyclohexyl)methyl]-4-phenylpiperidine-3,4-diol is sourced from PubChem (CID 162632619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).