(3R,4S)-3-(dimethylamino)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-id-4-ol

C16H22F3N2O- — CID 167488090

IUPAC(3R,4S)-3-(dimethylamino)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-id-4-ol
SMILESCN(C)[C@]1(CCc2cccc(C(F)(F)F)c2)C[N-]CC[C@@H]1O
InChIInChI=1S/C16H22F3N2O/c1-21(2)15(11-20-9-7-14(15)22)8-6-12-4-3-5-13(10-12)16(17,18)19/h3-5,10,14,22H,6-9,11H2,1-2H3/q-1/t14-,15+/m0/s1
InChIKeyATVMIBLQKCAOBA-LSDHHAIUSA-N
MW315.36 g/mol
LogP3.08
Rot. Bonds4

About (3R,4S)-3-(dimethylamino)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-id-4-ol

(3R,4S)-3-(dimethylamino)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-id-4-ol (PubChem CID 167488090) has the molecular formula C16H22F3N2O- and a molecular weight of 315.36 g/mol. Its IUPAC name is (3R,4S)-3-(dimethylamino)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-id-4-ol.

Molecular Properties

Compound Name(3R,4S)-3-(dimethylamino)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-id-4-ol
PubChem CID167488090
Molecular FormulaC16H22F3N2O-
Molecular Weight315.36 g/mol
Exact Mass315.17
IUPAC Name(3R,4S)-3-(dimethylamino)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-id-4-ol
SMILESCN(C)[C@]1(CCc2cccc(C(F)(F)F)c2)C[N-]CC[C@@H]1O
InChIInChI=1S/C16H22F3N2O/c1-21(2)15(11-20-9-7-14(15)22)8-6-12-4-3-5-13(10-12)16(17,18)19/h3-5,10,14,22H,6-9,11H2,1-2H3/q-1/t14-,15+/m0/s1
InChIKeyATVMIBLQKCAOBA-LSDHHAIUSA-N
XLogP3.08
TPSA37.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Piperazineethanol, beta-benzyl-4-methyl-
CID 201863
Piperazine derivative, 8
CID 71463394
Piperazine derivative, 22
CID 71463408
Piperazine derivative, 23
CID 71463409
1-[(2R)-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]piperazin-2-yl]ethanol
CID 23641160
3-(Dimethylamino)-1-phenyl-1-[3-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride
CID 12549088
1-{2-(3-Methylpiperazin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl}cyclohexanol Dihydrocholoride
CID 10361811
1-[4-(2-Hydroxyethyl)piperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 53559614
(2S,3R,6R)-1,2-dimethyl-6-(9-phenylnonyl)piperidin-3-ol
CID 162929732
[(2R)-4-[3-(2,6-difluorophenyl)propyl]-1-methylpiperazin-2-yl]methanol
CID 129560102
1-[1-[2-[3,5-Bis(trifluoromethyl)phenyl]ethyl]piperazin-2-yl]ethanol
CID 73756080
[4-(2-Phenylethyl)-1-(4,4,4-trifluorobutan-2-yl)piperidin-4-yl]methanol
CID 126460908

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-(dimethylamino)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-id-4-ol?
The IUPAC name of (3R,4S)-3-(dimethylamino)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-id-4-ol (CID 167488090) is (3R,4S)-3-(dimethylamino)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-id-4-ol.
What is the SMILES notation for (3R,4S)-3-(dimethylamino)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-id-4-ol?
The canonical SMILES for (3R,4S)-3-(dimethylamino)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-id-4-ol is CN(C)[C@]1(CCc2cccc(C(F)(F)F)c2)C[N-]CC[C@@H]1O.
What is the InChIKey of (3R,4S)-3-(dimethylamino)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-id-4-ol?
The InChIKey is ATVMIBLQKCAOBA-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H22F3N2O/c1-21(2)15(11-20-9-7-14(15)22)8-6-12-4-3-5-13(10-12)16(17,18)19/h3-5,10,14,22H,6-9,11H2,1-2H3/q-1/t14-,15+/m0/s1.
What are the key properties of (3R,4S)-3-(dimethylamino)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-id-4-ol?
(3R,4S)-3-(dimethylamino)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-id-4-ol has a molecular weight of 315.36 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-(dimethylamino)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-id-4-ol is sourced from PubChem (CID 167488090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).