4-(4-ethoxyphenyl)piperidine-4-carbonitrile

C14H18N2O — CID 46941924

IUPAC4-(4-ethoxyphenyl)piperidine-4-carbonitrile
SMILESCCOc1ccc(C2(C#N)CCNCC2)cc1
InChIInChI=1S/C14H18N2O/c1-2-17-13-5-3-12(4-6-13)14(11-15)7-9-16-10-8-14/h3-6,16H,2,7-10H2,1H3
InChIKeyMQHHXBBSUUALGO-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.23
Rot. Bonds3

About 4-(4-ethoxyphenyl)piperidine-4-carbonitrile

4-(4-ethoxyphenyl)piperidine-4-carbonitrile (PubChem CID 46941924) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-(4-ethoxyphenyl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name4-(4-ethoxyphenyl)piperidine-4-carbonitrile
PubChem CID46941924
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name4-(4-ethoxyphenyl)piperidine-4-carbonitrile
SMILESCCOc1ccc(C2(C#N)CCNCC2)cc1
InChIInChI=1S/C14H18N2O/c1-2-17-13-5-3-12(4-6-13)14(11-15)7-9-16-10-8-14/h3-6,16H,2,7-10H2,1H3
InChIKeyMQHHXBBSUUALGO-UHFFFAOYSA-N
XLogP2.23
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-Dimethoxy-alpha-(3-(methylamino)propyl)-alpha-(1-methylethyl)benzeneacetonitrile
CID 93168
4-(3-Methoxyphenyl)-1-methylpiperidine-4-carbonitrile
CID 79580
1-(6-{[4-(1,1-Dimethylethyl)phenyl]oxy}hexyl)piperazine
CID 410637
Ucl-2138
CID 2994072
4-(2-(Phenoxymethyl)phenyl)piperidine
CID 45483527
(R/S)-2-((4-benzylphenoxy)methyl)piperidine
CID 46888070
(R)-2-((4-benzylphenoxy)methyl)piperidine
CID 46888101
3-(Phenyl-piperidin-4-yl-methoxy)-benzonitrile
CID 9904147
N-butyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexan-1-amine
CID 56658589
4-[2-(4-Methoxyphenyl)ethyl]piperidine hydrochloride
CID 16325899
4-(Piperidin-4-yloxy)benzonitrile
CID 11241109
4-(3-Methoxyphenyl)piperidine hydrochloride
CID 45073801

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenyl)piperidine-4-carbonitrile?
The IUPAC name of 4-(4-ethoxyphenyl)piperidine-4-carbonitrile (CID 46941924) is 4-(4-ethoxyphenyl)piperidine-4-carbonitrile.
What is the SMILES notation for 4-(4-ethoxyphenyl)piperidine-4-carbonitrile?
The canonical SMILES for 4-(4-ethoxyphenyl)piperidine-4-carbonitrile is CCOc1ccc(C2(C#N)CCNCC2)cc1.
What is the InChIKey of 4-(4-ethoxyphenyl)piperidine-4-carbonitrile?
The InChIKey is MQHHXBBSUUALGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-2-17-13-5-3-12(4-6-13)14(11-15)7-9-16-10-8-14/h3-6,16H,2,7-10H2,1H3.
What are the key properties of 4-(4-ethoxyphenyl)piperidine-4-carbonitrile?
4-(4-ethoxyphenyl)piperidine-4-carbonitrile has a molecular weight of 230.31 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenyl)piperidine-4-carbonitrile is sourced from PubChem (CID 46941924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).