1-methylpiperidin-3-ol;3-(1-methylpiperidin-3-yl)oxybenzonitrile

C19H29N3O2 — CID 69045352

IUPAC1-methylpiperidin-3-ol;3-(1-methylpiperidin-3-yl)oxybenzonitrile
SMILESCN1CCCC(O)C1.CN1CCCC(Oc2cccc(C#N)c2)C1
InChIInChI=1S/C13H16N2O.C6H13NO/c1-15-7-3-6-13(10-15)16-12-5-2-4-11(8-12)9-14;1-7-4-2-3-6(8)5-7/h2,4-5,8,13H,3,6-7,10H2,1H3;6,8H,2-5H2,1H3
InChIKeyWZJSHLCDFDDIGG-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.10
Rot. Bonds2

About 1-methylpiperidin-3-ol;3-(1-methylpiperidin-3-yl)oxybenzonitrile

1-methylpiperidin-3-ol;3-(1-methylpiperidin-3-yl)oxybenzonitrile (PubChem CID 69045352) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 1-methylpiperidin-3-ol;3-(1-methylpiperidin-3-yl)oxybenzonitrile.

Molecular Properties

Compound Name1-methylpiperidin-3-ol;3-(1-methylpiperidin-3-yl)oxybenzonitrile
PubChem CID69045352
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name1-methylpiperidin-3-ol;3-(1-methylpiperidin-3-yl)oxybenzonitrile
SMILESCN1CCCC(O)C1.CN1CCCC(Oc2cccc(C#N)c2)C1
InChIInChI=1S/C13H16N2O.C6H13NO/c1-15-7-3-6-13(10-15)16-12-5-2-4-11(8-12)9-14;1-7-4-2-3-6(8)5-7/h2,4-5,8,13H,3,6-7,10H2,1H3;6,8H,2-5H2,1H3
InChIKeyWZJSHLCDFDDIGG-UHFFFAOYSA-N
XLogP2.10
TPSA59.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-methylpiperidin-3-ol;3-(1-methylpiperidin-3-yl)oxybenzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-hydroxycyclohexyl)oxybenzonitrile
CID 117052718
ethane;1-methyl-3-phenoxypiperidine
CID 176561362
3-[(1-methylpiperidin-4-yl)methoxy]benzonitrile
CID 68710696
1-[3-(1-methylpiperidin-3-yl)oxyphenyl]propan-2-ol
CID 115005736
3-piperidin-3-yloxybenzonitrile
CID 22309128
acetylene;3-(1-butylazetidin-3-yl)oxybenzonitrile;ethane
CID 145102187
3-[1-(4-hydroxybutyl)piperidin-4-yl]oxybenzonitrile
CID 111102144
2-fluoro-4-(1-methylpiperidin-3-yl)oxyaniline
CID 89223990
(1-methylpiperidin-3-yl) 4-cyanobenzoate
CID 4171248
3-[3-(3-cyanophenyl)phenoxy]pyrrolidine-1-carboxylic acid
CID 89480712
3-[2-hydroxy-3-[(1-methylpyrrolidin-3-yl)amino]propoxy]benzonitrile
CID 61462137
N-(3-cyanophenyl)-1-methylpiperidine-3-carboxamide
CID 110864808

Frequently Asked Questions

What is the IUPAC name of 1-methylpiperidin-3-ol;3-(1-methylpiperidin-3-yl)oxybenzonitrile?
The IUPAC name of 1-methylpiperidin-3-ol;3-(1-methylpiperidin-3-yl)oxybenzonitrile (CID 69045352) is 1-methylpiperidin-3-ol;3-(1-methylpiperidin-3-yl)oxybenzonitrile.
What is the SMILES notation for 1-methylpiperidin-3-ol;3-(1-methylpiperidin-3-yl)oxybenzonitrile?
The canonical SMILES for 1-methylpiperidin-3-ol;3-(1-methylpiperidin-3-yl)oxybenzonitrile is CN1CCCC(O)C1.CN1CCCC(Oc2cccc(C#N)c2)C1.
What is the InChIKey of 1-methylpiperidin-3-ol;3-(1-methylpiperidin-3-yl)oxybenzonitrile?
The InChIKey is WZJSHLCDFDDIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O.C6H13NO/c1-15-7-3-6-13(10-15)16-12-5-2-4-11(8-12)9-14;1-7-4-2-3-6(8)5-7/h2,4-5,8,13H,3,6-7,10H2,1H3;6,8H,2-5H2,1H3.
What are the key properties of 1-methylpiperidin-3-ol;3-(1-methylpiperidin-3-yl)oxybenzonitrile?
1-methylpiperidin-3-ol;3-(1-methylpiperidin-3-yl)oxybenzonitrile has a molecular weight of 331.46 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpiperidin-3-ol;3-(1-methylpiperidin-3-yl)oxybenzonitrile is sourced from PubChem (CID 69045352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).