1-(4-propan-2-yloxyphenyl)piperidine-3-carbonitrile

C15H20N2O — CID 117008100

IUPAC1-(4-propan-2-yloxyphenyl)piperidine-3-carbonitrile
SMILESCC(C)Oc1ccc(N2CCCC(C#N)C2)cc1
InChIInChI=1S/C15H20N2O/c1-12(2)18-15-7-5-14(6-8-15)17-9-3-4-13(10-16)11-17/h5-8,12-13H,3-4,9,11H2,1-2H3
InChIKeyIBOYYCCDPNYGAJ-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.21
Rot. Bonds3

About 1-(4-propan-2-yloxyphenyl)piperidine-3-carbonitrile

1-(4-propan-2-yloxyphenyl)piperidine-3-carbonitrile (PubChem CID 117008100) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-(4-propan-2-yloxyphenyl)piperidine-3-carbonitrile.

Molecular Properties

Compound Name1-(4-propan-2-yloxyphenyl)piperidine-3-carbonitrile
PubChem CID117008100
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name1-(4-propan-2-yloxyphenyl)piperidine-3-carbonitrile
SMILESCC(C)Oc1ccc(N2CCCC(C#N)C2)cc1
InChIInChI=1S/C15H20N2O/c1-12(2)18-15-7-5-14(6-8-15)17-9-3-4-13(10-16)11-17/h5-8,12-13H,3-4,9,11H2,1-2H3
InChIKeyIBOYYCCDPNYGAJ-UHFFFAOYSA-N
XLogP3.21
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-(4-Methoxyanilino)cyclohexane-1-carbonitrile
CID 4429173
1-(4-Methoxyphenyl)-4-propylpiperazine
CID 12854846
Cyanoethyl-4-phenetidine
CID 152647
N-(4-ethoxyphenyl)-1-methylpiperidine-3-carboxamide
CID 229285
1-methyl-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-N-phenylpiperidin-4-amine
CID 118109309
4-(4-Methoxyphenyl)-1,1-dimethylpiperazin-1-ium iodide
CID 44351629
N,N-dimethyl-4-(6-phenoxyhexoxy)aniline;hydrochloride
CID 44531972
4-[[1-(cyclopropylmethyl)piperidin-4-yl]methoxy]-N-ethylaniline;hydrate;hydrochloride
CID 45262191
1-[3-(4-Piperidin-1-ylphenoxy)propyl]piperidine
CID 56678520
3-[4-(2-Cyanoethoxy)anilino]propanenitrile
CID 647553
N-[(2,2-dimethyloxan-4-yl)methyl]-4-ethoxyaniline
CID 665237
(3S,4R)-3-butyl-1-(4-phenoxyphenyl)piperidin-4-amine
CID 11695523

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-yloxyphenyl)piperidine-3-carbonitrile?
The IUPAC name of 1-(4-propan-2-yloxyphenyl)piperidine-3-carbonitrile (CID 117008100) is 1-(4-propan-2-yloxyphenyl)piperidine-3-carbonitrile.
What is the SMILES notation for 1-(4-propan-2-yloxyphenyl)piperidine-3-carbonitrile?
The canonical SMILES for 1-(4-propan-2-yloxyphenyl)piperidine-3-carbonitrile is CC(C)Oc1ccc(N2CCCC(C#N)C2)cc1.
What is the InChIKey of 1-(4-propan-2-yloxyphenyl)piperidine-3-carbonitrile?
The InChIKey is IBOYYCCDPNYGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-12(2)18-15-7-5-14(6-8-15)17-9-3-4-13(10-16)11-17/h5-8,12-13H,3-4,9,11H2,1-2H3.
What are the key properties of 1-(4-propan-2-yloxyphenyl)piperidine-3-carbonitrile?
1-(4-propan-2-yloxyphenyl)piperidine-3-carbonitrile has a molecular weight of 244.34 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-yloxyphenyl)piperidine-3-carbonitrile is sourced from PubChem (CID 117008100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).