(2S)-1-[(2-methylpropan-2-yl)oxy]-3-[(2S)-2-(1H-pyrazol-4-yl)piperidin-1-yl]propan-2-ol

C15H27N3O2 — CID 124778376

IUPAC(2S)-1-[(2-methylpropan-2-yl)oxy]-3-[(2S)-2-(1H-pyrazol-4-yl)piperidin-1-yl]propan-2-ol
SMILESCC(C)(C)OC[C@@H](O)CN1CCCC[C@H]1c1cn[nH]c1
InChIInChI=1S/C15H27N3O2/c1-15(2,3)20-11-13(19)10-18-7-5-4-6-14(18)12-8-16-17-9-12/h8-9,13-14,19H,4-7,10-11H2,1-3H3,(H,16,17)/t13-,14-/m0/s1
InChIKeyQFIIVWNHPYTTAB-KBPBESRZSA-N
MW281.40 g/mol
LogP2.11
Rot. Bonds5

About (2S)-1-[(2-methylpropan-2-yl)oxy]-3-[(2S)-2-(1H-pyrazol-4-yl)piperidin-1-yl]propan-2-ol

(2S)-1-[(2-methylpropan-2-yl)oxy]-3-[(2S)-2-(1H-pyrazol-4-yl)piperidin-1-yl]propan-2-ol (PubChem CID 124778376) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is (2S)-1-[(2-methylpropan-2-yl)oxy]-3-[(2S)-2-(1H-pyrazol-4-yl)piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(2-methylpropan-2-yl)oxy]-3-[(2S)-2-(1H-pyrazol-4-yl)piperidin-1-yl]propan-2-ol
PubChem CID124778376
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name(2S)-1-[(2-methylpropan-2-yl)oxy]-3-[(2S)-2-(1H-pyrazol-4-yl)piperidin-1-yl]propan-2-ol
SMILESCC(C)(C)OC[C@@H](O)CN1CCCC[C@H]1c1cn[nH]c1
InChIInChI=1S/C15H27N3O2/c1-15(2,3)20-11-13(19)10-18-7-5-4-6-14(18)12-8-16-17-9-12/h8-9,13-14,19H,4-7,10-11H2,1-3H3,(H,16,17)/t13-,14-/m0/s1
InChIKeyQFIIVWNHPYTTAB-KBPBESRZSA-N
XLogP2.11
TPSA61.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1-hydroxyethyl)piperidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 111107375
1-[(2-methylpropan-2-yl)oxy]-3-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]propan-2-ol
CID 111336722
tert-butyl 2-(1H-pyrazol-4-yl)pyrrolidine-1-carboxylate
CID 122170287
1-[2-(4-methoxyphenyl)azepan-1-yl]-3-propan-2-yloxypropan-2-ol
CID 78827409
N-[[1-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperidin-2-yl]methyl]benzamide
CID 111613868
1-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 111434982
cyclohexyl-[4-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]methanone
CID 110908182
(2R)-1-[(2-methylpropan-2-yl)oxy]-3-[(3R)-3-phenylpyrrolidin-1-yl]propan-2-ol
CID 94824860
(2S)-1-(4-fluorophenoxy)-3-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]propan-2-ol
CID 95569820
1-[(2-methylpropan-2-yl)oxy]-3-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-2-ol
CID 110898534
4-amino-3-methoxy-1-[2-(1H-pyrazol-4-yl)piperidin-1-yl]butan-1-one;dihydrochloride
CID 120597000
N-[3-(2-methylpropanoylamino)propyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 75499708

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2-methylpropan-2-yl)oxy]-3-[(2S)-2-(1H-pyrazol-4-yl)piperidin-1-yl]propan-2-ol?
The IUPAC name of (2S)-1-[(2-methylpropan-2-yl)oxy]-3-[(2S)-2-(1H-pyrazol-4-yl)piperidin-1-yl]propan-2-ol (CID 124778376) is (2S)-1-[(2-methylpropan-2-yl)oxy]-3-[(2S)-2-(1H-pyrazol-4-yl)piperidin-1-yl]propan-2-ol.
What is the SMILES notation for (2S)-1-[(2-methylpropan-2-yl)oxy]-3-[(2S)-2-(1H-pyrazol-4-yl)piperidin-1-yl]propan-2-ol?
The canonical SMILES for (2S)-1-[(2-methylpropan-2-yl)oxy]-3-[(2S)-2-(1H-pyrazol-4-yl)piperidin-1-yl]propan-2-ol is CC(C)(C)OC[C@@H](O)CN1CCCC[C@H]1c1cn[nH]c1.
What is the InChIKey of (2S)-1-[(2-methylpropan-2-yl)oxy]-3-[(2S)-2-(1H-pyrazol-4-yl)piperidin-1-yl]propan-2-ol?
The InChIKey is QFIIVWNHPYTTAB-KBPBESRZSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-15(2,3)20-11-13(19)10-18-7-5-4-6-14(18)12-8-16-17-9-12/h8-9,13-14,19H,4-7,10-11H2,1-3H3,(H,16,17)/t13-,14-/m0/s1.
What are the key properties of (2S)-1-[(2-methylpropan-2-yl)oxy]-3-[(2S)-2-(1H-pyrazol-4-yl)piperidin-1-yl]propan-2-ol?
(2S)-1-[(2-methylpropan-2-yl)oxy]-3-[(2S)-2-(1H-pyrazol-4-yl)piperidin-1-yl]propan-2-ol has a molecular weight of 281.40 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2-methylpropan-2-yl)oxy]-3-[(2S)-2-(1H-pyrazol-4-yl)piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 124778376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).