(2R)-1-[methyl-[(3R)-1-phenylpiperidin-3-yl]amino]-3-pyrazol-1-ylpropan-2-ol

C18H26N4O — CID 96998183

IUPAC(2R)-1-[methyl-[(3R)-1-phenylpiperidin-3-yl]amino]-3-pyrazol-1-ylpropan-2-ol
SMILESCN(C[C@@H](O)Cn1cccn1)[C@@H]1CCCN(c2ccccc2)C1
InChIInChI=1S/C18H26N4O/c1-20(14-18(23)15-22-12-6-10-19-22)17-9-5-11-21(13-17)16-7-3-2-4-8-16/h2-4,6-8,10,12,17-18,23H,5,9,11,13-15H2,1H3/t17-,18-/m1/s1
InChIKeyGHNVOZNGXVHFIT-QZTJIDSGSA-N
MW314.43 g/mol
LogP1.84
Rot. Bonds6

About (2R)-1-[methyl-[(3R)-1-phenylpiperidin-3-yl]amino]-3-pyrazol-1-ylpropan-2-ol

(2R)-1-[methyl-[(3R)-1-phenylpiperidin-3-yl]amino]-3-pyrazol-1-ylpropan-2-ol (PubChem CID 96998183) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is (2R)-1-[methyl-[(3R)-1-phenylpiperidin-3-yl]amino]-3-pyrazol-1-ylpropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[methyl-[(3R)-1-phenylpiperidin-3-yl]amino]-3-pyrazol-1-ylpropan-2-ol
PubChem CID96998183
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name(2R)-1-[methyl-[(3R)-1-phenylpiperidin-3-yl]amino]-3-pyrazol-1-ylpropan-2-ol
SMILESCN(C[C@@H](O)Cn1cccn1)[C@@H]1CCCN(c2ccccc2)C1
InChIInChI=1S/C18H26N4O/c1-20(14-18(23)15-22-12-6-10-19-22)17-9-5-11-21(13-17)16-7-3-2-4-8-16/h2-4,6-8,10,12,17-18,23H,5,9,11,13-15H2,1H3/t17-,18-/m1/s1
InChIKeyGHNVOZNGXVHFIT-QZTJIDSGSA-N
XLogP1.84
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-[methyl-[(3S)-1-phenylpiperidin-3-yl]amino]-3-pyrazol-1-ylpropan-2-ol
CID 124827378
(2R)-1-[methyl-[(3S)-1-phenylpiperidin-3-yl]amino]-3-morpholin-4-ylpropan-2-ol
CID 124779951
(2S)-1-[methyl-[(3R)-1-phenylpiperidin-3-yl]amino]-3-propan-2-yloxypropan-2-ol
CID 97018679
1-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-3-pyrazol-1-ylpropan-2-ol
CID 56815110
(2S)-1-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-3-pyrazol-1-ylpropan-2-ol
CID 124812147
(2S)-1-[methyl-[(2-phenyltriazol-4-yl)methyl]amino]-3-pyrazol-1-ylpropan-2-ol
CID 94032264
(3S)-N-(2-methoxyethyl)-N-methyl-1-phenylpiperidin-3-amine
CID 96567567
(2S)-1-[methyl-[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]-3-phenoxypropan-2-ol
CID 95334988
(2S)-1-[benzyl(methyl)amino]-3-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-2-ol
CID 95610412
(2S)-1-[benzyl(methyl)amino]-3-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-2-ol
CID 129426746
3-ethyl-1-methyl-1-(1-phenylpiperidin-3-yl)urea
CID 136526166
(2S)-1-[methyl-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]amino]-3-pyrazol-1-ylpropan-2-ol
CID 95610890

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[methyl-[(3R)-1-phenylpiperidin-3-yl]amino]-3-pyrazol-1-ylpropan-2-ol?
The IUPAC name of (2R)-1-[methyl-[(3R)-1-phenylpiperidin-3-yl]amino]-3-pyrazol-1-ylpropan-2-ol (CID 96998183) is (2R)-1-[methyl-[(3R)-1-phenylpiperidin-3-yl]amino]-3-pyrazol-1-ylpropan-2-ol.
What is the SMILES notation for (2R)-1-[methyl-[(3R)-1-phenylpiperidin-3-yl]amino]-3-pyrazol-1-ylpropan-2-ol?
The canonical SMILES for (2R)-1-[methyl-[(3R)-1-phenylpiperidin-3-yl]amino]-3-pyrazol-1-ylpropan-2-ol is CN(C[C@@H](O)Cn1cccn1)[C@@H]1CCCN(c2ccccc2)C1.
What is the InChIKey of (2R)-1-[methyl-[(3R)-1-phenylpiperidin-3-yl]amino]-3-pyrazol-1-ylpropan-2-ol?
The InChIKey is GHNVOZNGXVHFIT-QZTJIDSGSA-N. The full InChI is InChI=1S/C18H26N4O/c1-20(14-18(23)15-22-12-6-10-19-22)17-9-5-11-21(13-17)16-7-3-2-4-8-16/h2-4,6-8,10,12,17-18,23H,5,9,11,13-15H2,1H3/t17-,18-/m1/s1.
What are the key properties of (2R)-1-[methyl-[(3R)-1-phenylpiperidin-3-yl]amino]-3-pyrazol-1-ylpropan-2-ol?
(2R)-1-[methyl-[(3R)-1-phenylpiperidin-3-yl]amino]-3-pyrazol-1-ylpropan-2-ol has a molecular weight of 314.43 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[methyl-[(3R)-1-phenylpiperidin-3-yl]amino]-3-pyrazol-1-ylpropan-2-ol is sourced from PubChem (CID 96998183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).