(2R)-1-(4-methylpiperidin-1-yl)-3-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propan-2-ol

C18H32N4O — CID 95610418

IUPAC(2R)-1-(4-methylpiperidin-1-yl)-3-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propan-2-ol
SMILESCc1cnn(C[C@@H]2CCCN2C[C@H](O)CN2CCC(C)CC2)c1
InChIInChI=1S/C18H32N4O/c1-15-5-8-20(9-6-15)13-18(23)14-21-7-3-4-17(21)12-22-11-16(2)10-19-22/h10-11,15,17-18,23H,3-9,12-14H2,1-2H3/t17-,18+/m0/s1
InChIKeyWGQYTGNOZNNDBB-ZWKOTPCHSA-N
MW320.48 g/mol
LogP1.75
Rot. Bonds6

About (2R)-1-(4-methylpiperidin-1-yl)-3-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propan-2-ol

(2R)-1-(4-methylpiperidin-1-yl)-3-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propan-2-ol (PubChem CID 95610418) has the molecular formula C18H32N4O and a molecular weight of 320.48 g/mol. Its IUPAC name is (2R)-1-(4-methylpiperidin-1-yl)-3-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(4-methylpiperidin-1-yl)-3-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propan-2-ol
PubChem CID95610418
Molecular FormulaC18H32N4O
Molecular Weight320.48 g/mol
Exact Mass320.26
IUPAC Name(2R)-1-(4-methylpiperidin-1-yl)-3-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propan-2-ol
SMILESCc1cnn(C[C@@H]2CCCN2C[C@H](O)CN2CCC(C)CC2)c1
InChIInChI=1S/C18H32N4O/c1-15-5-8-20(9-6-15)13-18(23)14-21-7-3-4-17(21)12-22-11-16(2)10-19-22/h10-11,15,17-18,23H,3-9,12-14H2,1-2H3/t17-,18+/m0/s1
InChIKeyWGQYTGNOZNNDBB-ZWKOTPCHSA-N
XLogP1.75
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-phenylmethoxypropan-2-ol
CID 100842291
(2S)-1-[benzyl(methyl)amino]-3-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propan-2-ol
CID 100842295
(2S)-1-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 100842266
(2R)-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-3-phenoxypropan-2-ol
CID 100841531
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-(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
(1S)-1-(2,5-dimethoxyphenyl)-2-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethanol
CID 129448778
1-(4-aminopyrazol-1-yl)-3-(4-methylazepan-1-yl)propan-2-ol
CID 63623491
1-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]cyclohexan-1-ol
CID 95345806
1-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-2-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethanone
CID 95353468
1-[(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-2-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethanone
CID 129448722

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-methylpiperidin-1-yl)-3-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-(4-methylpiperidin-1-yl)-3-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propan-2-ol (CID 95610418) is (2R)-1-(4-methylpiperidin-1-yl)-3-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-(4-methylpiperidin-1-yl)-3-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-(4-methylpiperidin-1-yl)-3-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propan-2-ol is Cc1cnn(C[C@@H]2CCCN2C[C@H](O)CN2CCC(C)CC2)c1.
What is the InChIKey of (2R)-1-(4-methylpiperidin-1-yl)-3-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propan-2-ol?
The InChIKey is WGQYTGNOZNNDBB-ZWKOTPCHSA-N. The full InChI is InChI=1S/C18H32N4O/c1-15-5-8-20(9-6-15)13-18(23)14-21-7-3-4-17(21)12-22-11-16(2)10-19-22/h10-11,15,17-18,23H,3-9,12-14H2,1-2H3/t17-,18+/m0/s1.
What are the key properties of (2R)-1-(4-methylpiperidin-1-yl)-3-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propan-2-ol?
(2R)-1-(4-methylpiperidin-1-yl)-3-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propan-2-ol has a molecular weight of 320.48 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-methylpiperidin-1-yl)-3-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propan-2-ol is sourced from PubChem (CID 95610418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).