(2R)-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-3-phenoxypropan-2-ol

C19H27N3O2 — CID 100841531

IUPAC(2R)-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-3-phenoxypropan-2-ol
SMILESCc1cnn(C[C@@H]2CCCCN2C[C@@H](O)COc2ccccc2)c1
InChIInChI=1S/C19H27N3O2/c1-16-11-20-22(12-16)13-17-7-5-6-10-21(17)14-18(23)15-24-19-8-3-2-4-9-19/h2-4,8-9,11-12,17-18,23H,5-7,10,13-15H2,1H3/t17-,18+/m0/s1
InChIKeyFSPSIHKILCMNBZ-ZWKOTPCHSA-N
MW329.44 g/mol
LogP2.49
Rot. Bonds7

About (2R)-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-3-phenoxypropan-2-ol

(2R)-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-3-phenoxypropan-2-ol (PubChem CID 100841531) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is (2R)-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-3-phenoxypropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-3-phenoxypropan-2-ol
PubChem CID100841531
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name(2R)-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-3-phenoxypropan-2-ol
SMILESCc1cnn(C[C@@H]2CCCCN2C[C@@H](O)COc2ccccc2)c1
InChIInChI=1S/C19H27N3O2/c1-16-11-20-22(12-16)13-17-7-5-6-10-21(17)14-18(23)15-24-19-8-3-2-4-9-19/h2-4,8-9,11-12,17-18,23H,5-7,10,13-15H2,1H3/t17-,18+/m0/s1
InChIKeyFSPSIHKILCMNBZ-ZWKOTPCHSA-N
XLogP2.49
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2S)-2-hydroxy-3-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propoxy]benzonitrile
CID 95609524
(2R)-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-phenylmethoxypropan-2-ol
CID 100842291
(2S)-1-phenoxy-3-[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-2-ol
CID 129426047
(2S)-1-[benzyl(methyl)amino]-3-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propan-2-ol
CID 100842295
(2S)-1-[(2R)-2-methylpiperidin-1-yl]-3-phenoxypropan-2-ol
CID 51423161
(2S)-1-[(2S)-2-methylpiperidin-1-yl]-3-phenoxypropan-2-ol
CID 51423190
(2R)-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 100842296
(2S)-1-(furan-2-ylmethoxy)-3-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propan-2-ol
CID 95610423
1-(4-methylphenoxy)-3-[2-(morpholin-4-ylmethyl)piperidin-1-yl]propan-2-ol
CID 111114259
(2R)-1-(4-methylpiperidin-1-yl)-3-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propan-2-ol
CID 95610418
1-(2-methylpyrrolidin-1-yl)-3-phenoxypropan-2-ol
CID 3125455
1-[2-(2-hydroxyethyl)piperidin-1-yl]-3-(4-methylphenoxy)propan-2-ol
CID 110877404

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-3-phenoxypropan-2-ol?
The IUPAC name of (2R)-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-3-phenoxypropan-2-ol (CID 100841531) is (2R)-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-3-phenoxypropan-2-ol.
What is the SMILES notation for (2R)-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-3-phenoxypropan-2-ol?
The canonical SMILES for (2R)-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-3-phenoxypropan-2-ol is Cc1cnn(C[C@@H]2CCCCN2C[C@@H](O)COc2ccccc2)c1.
What is the InChIKey of (2R)-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-3-phenoxypropan-2-ol?
The InChIKey is FSPSIHKILCMNBZ-ZWKOTPCHSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-16-11-20-22(12-16)13-17-7-5-6-10-21(17)14-18(23)15-24-19-8-3-2-4-9-19/h2-4,8-9,11-12,17-18,23H,5-7,10,13-15H2,1H3/t17-,18+/m0/s1.
What are the key properties of (2R)-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-3-phenoxypropan-2-ol?
(2R)-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-3-phenoxypropan-2-ol has a molecular weight of 329.44 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-3-phenoxypropan-2-ol is sourced from PubChem (CID 100841531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).