(3S,4R)-4-(dimethylamino)-4-phenyl-1-(2-pyrazol-1-ylethyl)piperidin-3-ol

C18H26N4O — CID 171911184

IUPAC(3S,4R)-4-(dimethylamino)-4-phenyl-1-(2-pyrazol-1-ylethyl)piperidin-3-ol
SMILESCN(C)[C@@]1(c2ccccc2)CCN(CCn2cccn2)C[C@@H]1O
InChIInChI=1S/C18H26N4O/c1-20(2)18(16-7-4-3-5-8-16)9-12-21(15-17(18)23)13-14-22-11-6-10-19-22/h3-8,10-11,17,23H,9,12-15H2,1-2H3/t17-,18+/m0/s1
InChIKeyOJGKLIBTFOFRGK-ZWKOTPCHSA-N
MW314.43 g/mol
LogP1.41
Rot. Bonds5

About (3S,4R)-4-(dimethylamino)-4-phenyl-1-(2-pyrazol-1-ylethyl)piperidin-3-ol

(3S,4R)-4-(dimethylamino)-4-phenyl-1-(2-pyrazol-1-ylethyl)piperidin-3-ol (PubChem CID 171911184) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is (3S,4R)-4-(dimethylamino)-4-phenyl-1-(2-pyrazol-1-ylethyl)piperidin-3-ol.

Molecular Properties

Compound Name(3S,4R)-4-(dimethylamino)-4-phenyl-1-(2-pyrazol-1-ylethyl)piperidin-3-ol
PubChem CID171911184
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name(3S,4R)-4-(dimethylamino)-4-phenyl-1-(2-pyrazol-1-ylethyl)piperidin-3-ol
SMILESCN(C)[C@@]1(c2ccccc2)CCN(CCn2cccn2)C[C@@H]1O
InChIInChI=1S/C18H26N4O/c1-20(2)18(16-7-4-3-5-8-16)9-12-21(15-17(18)23)13-14-22-11-6-10-19-22/h3-8,10-11,17,23H,9,12-15H2,1-2H3/t17-,18+/m0/s1
InChIKeyOJGKLIBTFOFRGK-ZWKOTPCHSA-N
XLogP1.41
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,4S)-1-(2-pyrazol-1-ylethyl)pyrrolidine-3,4-diol
CID 115278412
1-[2-[(3S)-3-benzylpyrrolidin-1-yl]ethyl]pyrazole
CID 124607305
(3R,4S)-4-(dimethylamino)-4-phenyl-1-(1,3-thiazol-2-yl)piperidin-3-ol;formic acid
CID 171711614
(3S,4S)-3-hydroxy-4-propyl-1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-4-carboxylic acid
CID 165424586
3,4-dimethyl-1-(3-pyrazol-1-ylpropyl)piperidin-4-ol
CID 156603672
N-[3,5-dimethyl-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-N-phenylpropanamide
CID 15067958
(3R,4R)-4-[methyl(2-pyridin-2-ylethyl)amino]-1-(3-pyrazol-1-ylpropyl)piperidin-3-ol
CID 25289228
2,2-dimethyl-5-phenyl-1-(2-pyrazol-1-ylethyl)piperazine
CID 64877853
2,6-dimethyl-4-(2-pyrazol-1-ylethyl)morpholine
CID 172900914
1-(2-ethylphenyl)-4-(2-pyrazol-1-ylethyl)piperazine
CID 118789531
N-methyl-4-(methylamino)-N-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]butanamide
CID 119903136
(3S)-3-phenyl-1-(4-pyrazol-1-ylbutanoyl)pyrrolidine-3-carboxylic acid
CID 125166682

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-(dimethylamino)-4-phenyl-1-(2-pyrazol-1-ylethyl)piperidin-3-ol?
The IUPAC name of (3S,4R)-4-(dimethylamino)-4-phenyl-1-(2-pyrazol-1-ylethyl)piperidin-3-ol (CID 171911184) is (3S,4R)-4-(dimethylamino)-4-phenyl-1-(2-pyrazol-1-ylethyl)piperidin-3-ol.
What is the SMILES notation for (3S,4R)-4-(dimethylamino)-4-phenyl-1-(2-pyrazol-1-ylethyl)piperidin-3-ol?
The canonical SMILES for (3S,4R)-4-(dimethylamino)-4-phenyl-1-(2-pyrazol-1-ylethyl)piperidin-3-ol is CN(C)[C@@]1(c2ccccc2)CCN(CCn2cccn2)C[C@@H]1O.
What is the InChIKey of (3S,4R)-4-(dimethylamino)-4-phenyl-1-(2-pyrazol-1-ylethyl)piperidin-3-ol?
The InChIKey is OJGKLIBTFOFRGK-ZWKOTPCHSA-N. The full InChI is InChI=1S/C18H26N4O/c1-20(2)18(16-7-4-3-5-8-16)9-12-21(15-17(18)23)13-14-22-11-6-10-19-22/h3-8,10-11,17,23H,9,12-15H2,1-2H3/t17-,18+/m0/s1.
What are the key properties of (3S,4R)-4-(dimethylamino)-4-phenyl-1-(2-pyrazol-1-ylethyl)piperidin-3-ol?
(3S,4R)-4-(dimethylamino)-4-phenyl-1-(2-pyrazol-1-ylethyl)piperidin-3-ol has a molecular weight of 314.43 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-(dimethylamino)-4-phenyl-1-(2-pyrazol-1-ylethyl)piperidin-3-ol is sourced from PubChem (CID 171911184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).