4-(1-ethylpiperidin-4-yl)oxybenzonitrile

C14H18N2O — CID 11368217

IUPAC4-(1-ethylpiperidin-4-yl)oxybenzonitrile
SMILESCCN1CCC(Oc2ccc(C#N)cc2)CC1
InChIInChI=1S/C14H18N2O/c1-2-16-9-7-14(8-10-16)17-13-5-3-12(11-15)4-6-13/h3-6,14H,2,7-10H2,1H3
InChIKeyGMOLTMQPRXKNRT-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.42
Rot. Bonds3

About 4-(1-ethylpiperidin-4-yl)oxybenzonitrile

4-(1-ethylpiperidin-4-yl)oxybenzonitrile (PubChem CID 11368217) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-(1-ethylpiperidin-4-yl)oxybenzonitrile.

Molecular Properties

Compound Name4-(1-ethylpiperidin-4-yl)oxybenzonitrile
PubChem CID11368217
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name4-(1-ethylpiperidin-4-yl)oxybenzonitrile
SMILESCCN1CCC(Oc2ccc(C#N)cc2)CC1
InChIInChI=1S/C14H18N2O/c1-2-16-9-7-14(8-10-16)17-13-5-3-12(11-15)4-6-13/h3-6,14H,2,7-10H2,1H3
InChIKeyGMOLTMQPRXKNRT-UHFFFAOYSA-N
XLogP2.42
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-ethylpiperidin-4-yl)oxybenzonitrile?
The IUPAC name of 4-(1-ethylpiperidin-4-yl)oxybenzonitrile (CID 11368217) is 4-(1-ethylpiperidin-4-yl)oxybenzonitrile.
What is the SMILES notation for 4-(1-ethylpiperidin-4-yl)oxybenzonitrile?
The canonical SMILES for 4-(1-ethylpiperidin-4-yl)oxybenzonitrile is CCN1CCC(Oc2ccc(C#N)cc2)CC1.
What is the InChIKey of 4-(1-ethylpiperidin-4-yl)oxybenzonitrile?
The InChIKey is GMOLTMQPRXKNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-2-16-9-7-14(8-10-16)17-13-5-3-12(11-15)4-6-13/h3-6,14H,2,7-10H2,1H3.
What are the key properties of 4-(1-ethylpiperidin-4-yl)oxybenzonitrile?
4-(1-ethylpiperidin-4-yl)oxybenzonitrile has a molecular weight of 230.31 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethylpiperidin-4-yl)oxybenzonitrile is sourced from PubChem (CID 11368217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).