1-(4-benzylidenepiperidin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol

C19H29NO2 — CID 111799527

IUPAC1-(4-benzylidenepiperidin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
SMILESCC(C)(C)OCC(O)CN1CCC(=Cc2ccccc2)CC1
InChIInChI=1S/C19H29NO2/c1-19(2,3)22-15-18(21)14-20-11-9-17(10-12-20)13-16-7-5-4-6-8-16/h4-8,13,18,21H,9-12,14-15H2,1-3H3
InChIKeyQKMRVNUJSXBXHY-UHFFFAOYSA-N
MW303.45 g/mol
LogP3.34
Rot. Bonds5

About 1-(4-benzylidenepiperidin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol

1-(4-benzylidenepiperidin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol (PubChem CID 111799527) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is 1-(4-benzylidenepiperidin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol.

Molecular Properties

Compound Name1-(4-benzylidenepiperidin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
PubChem CID111799527
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Name1-(4-benzylidenepiperidin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
SMILESCC(C)(C)OCC(O)CN1CCC(=Cc2ccccc2)CC1
InChIInChI=1S/C19H29NO2/c1-19(2,3)22-15-18(21)14-20-11-9-17(10-12-20)13-16-7-5-4-6-8-16/h4-8,13,18,21H,9-12,14-15H2,1-3H3
InChIKeyQKMRVNUJSXBXHY-UHFFFAOYSA-N
XLogP3.34
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(4-benzylpiperidin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 40786891
(2R)-1-[(2-methylpropan-2-yl)oxy]-3-[(3R)-3-phenylpyrrolidin-1-yl]propan-2-ol
CID 94824860
1-[4-(4-methylphenyl)piperazin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 44785164
1-[4-(2,2-difluoroethyl)piperazin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 48966438
(2R)-1-[(2-methylpropan-2-yl)oxy]-3-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-2-ol
CID 94489097
N-[2-[4-[(2S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]ethyl]naphthalene-2-carboxamide
CID 124761014
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 3583119
1-[4-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]propan-1-one
CID 110923003
1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 111116658
(2R)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 2427595
N-[2-[4-[(2S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]ethyl]quinoline-4-carboxamide
CID 124760477
4-benzylidene-1-propan-2-ylpiperidine
CID 23570306

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylidenepiperidin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The IUPAC name of 1-(4-benzylidenepiperidin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol (CID 111799527) is 1-(4-benzylidenepiperidin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol.
What is the SMILES notation for 1-(4-benzylidenepiperidin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The canonical SMILES for 1-(4-benzylidenepiperidin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol is CC(C)(C)OCC(O)CN1CCC(=Cc2ccccc2)CC1.
What is the InChIKey of 1-(4-benzylidenepiperidin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The InChIKey is QKMRVNUJSXBXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2/c1-19(2,3)22-15-18(21)14-20-11-9-17(10-12-20)13-16-7-5-4-6-8-16/h4-8,13,18,21H,9-12,14-15H2,1-3H3.
What are the key properties of 1-(4-benzylidenepiperidin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
1-(4-benzylidenepiperidin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol has a molecular weight of 303.45 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylidenepiperidin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol is sourced from PubChem (CID 111799527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).