(2R)-1-[[(2S)-oxolan-2-yl]methoxy]-3-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]propan-2-ol

C17H29N3O3 — CID 95156770

IUPAC(2R)-1-[[(2S)-oxolan-2-yl]methoxy]-3-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]propan-2-ol
SMILESO[C@@H](COC[C@@H]1CCCO1)CN1CCC(Cn2cccn2)CC1
InChIInChI=1S/C17H29N3O3/c21-16(13-22-14-17-3-1-10-23-17)12-19-8-4-15(5-9-19)11-20-7-2-6-18-20/h2,6-7,15-17,21H,1,3-5,8-14H2/t16-,17+/m1/s1
InChIKeyKODAXIRSLTZWAR-SJORKVTESA-N
MW323.44 g/mol
LogP1.15
Rot. Bonds8

About (2R)-1-[[(2S)-oxolan-2-yl]methoxy]-3-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]propan-2-ol

(2R)-1-[[(2S)-oxolan-2-yl]methoxy]-3-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]propan-2-ol (PubChem CID 95156770) has the molecular formula C17H29N3O3 and a molecular weight of 323.44 g/mol. Its IUPAC name is (2R)-1-[[(2S)-oxolan-2-yl]methoxy]-3-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[[(2S)-oxolan-2-yl]methoxy]-3-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]propan-2-ol
PubChem CID95156770
Molecular FormulaC17H29N3O3
Molecular Weight323.44 g/mol
Exact Mass323.22
IUPAC Name(2R)-1-[[(2S)-oxolan-2-yl]methoxy]-3-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]propan-2-ol
SMILESO[C@@H](COC[C@@H]1CCCO1)CN1CCC(Cn2cccn2)CC1
InChIInChI=1S/C17H29N3O3/c21-16(13-22-14-17-3-1-10-23-17)12-19-8-4-15(5-9-19)11-20-7-2-6-18-20/h2,6-7,15-17,21H,1,3-5,8-14H2/t16-,17+/m1/s1
InChIKeyKODAXIRSLTZWAR-SJORKVTESA-N
XLogP1.15
TPSA59.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-1-[[(2S)-oxolan-2-yl]methoxy]-3-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]propan-2-ol with MolForge

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Related Compounds

(2R)-1-[4-[[(2R)-oxolan-2-yl]methyl]-1,4-diazepan-1-yl]-3-pyrazol-1-ylpropan-2-ol
CID 124787969
ethyl 4-[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]piperazine-1-carboxylate
CID 56777653
4-[1-[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]piperidin-4-yl]phenol
CID 78836914
(2S)-1-[4-[(2S)-2-hydroxy-3-[[(2R)-oxolan-2-yl]methoxy]propyl]piperazin-1-yl]-3,3-dimethylbutan-2-ol
CID 124823947
1-(3-ethylpiperidin-1-yl)-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 110888545
1-(4,4-dimethylazepan-1-yl)-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 111462766
(2S)-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol
CID 129425582
N-[1-[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]piperidin-4-yl]benzamide
CID 42928020
1-[(3R,5S)-3,5-dimethylazepan-1-yl]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 146138021
(2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol
CID 31263826
N-ethyl-2-[4-[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]piperazin-1-yl]acetamide
CID 55572604
(2S)-1-(4-methylpiperidin-1-yl)-3-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]propan-2-ol
CID 100842326

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[(2S)-oxolan-2-yl]methoxy]-3-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-[[(2S)-oxolan-2-yl]methoxy]-3-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]propan-2-ol (CID 95156770) is (2R)-1-[[(2S)-oxolan-2-yl]methoxy]-3-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-[[(2S)-oxolan-2-yl]methoxy]-3-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-[[(2S)-oxolan-2-yl]methoxy]-3-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]propan-2-ol is O[C@@H](COC[C@@H]1CCCO1)CN1CCC(Cn2cccn2)CC1.
What is the InChIKey of (2R)-1-[[(2S)-oxolan-2-yl]methoxy]-3-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]propan-2-ol?
The InChIKey is KODAXIRSLTZWAR-SJORKVTESA-N. The full InChI is InChI=1S/C17H29N3O3/c21-16(13-22-14-17-3-1-10-23-17)12-19-8-4-15(5-9-19)11-20-7-2-6-18-20/h2,6-7,15-17,21H,1,3-5,8-14H2/t16-,17+/m1/s1.
What are the key properties of (2R)-1-[[(2S)-oxolan-2-yl]methoxy]-3-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]propan-2-ol?
(2R)-1-[[(2S)-oxolan-2-yl]methoxy]-3-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]propan-2-ol has a molecular weight of 323.44 g/mol, XLogP of 1.15, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[(2S)-oxolan-2-yl]methoxy]-3-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 95156770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).