3-piperidin-1-ylphenanthrene-9-carbonitrile

C20H18N2 — CID 155548874

IUPAC3-piperidin-1-ylphenanthrene-9-carbonitrile
SMILESN#Cc1cc2ccc(N3CCCCC3)cc2c2ccccc12
InChIInChI=1S/C20H18N2/c21-14-16-12-15-8-9-17(22-10-4-1-5-11-22)13-20(15)19-7-3-2-6-18(16)19/h2-3,6-9,12-13H,1,4-5,10-11H2
InChIKeySJHNOFHYHWZDFC-UHFFFAOYSA-N
MW286.38 g/mol
LogP4.85
Rot. Bonds1

About 3-piperidin-1-ylphenanthrene-9-carbonitrile

3-piperidin-1-ylphenanthrene-9-carbonitrile (PubChem CID 155548874) has the molecular formula C20H18N2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-piperidin-1-ylphenanthrene-9-carbonitrile.

Molecular Properties

Compound Name3-piperidin-1-ylphenanthrene-9-carbonitrile
PubChem CID155548874
Molecular FormulaC20H18N2
Molecular Weight286.38 g/mol
Exact Mass286.15
IUPAC Name3-piperidin-1-ylphenanthrene-9-carbonitrile
SMILESN#Cc1cc2ccc(N3CCCCC3)cc2c2ccccc12
InChIInChI=1S/C20H18N2/c21-14-16-12-15-8-9-17(22-10-4-1-5-11-22)13-20(15)19-7-3-2-6-18(16)19/h2-3,6-9,12-13H,1,4-5,10-11H2
InChIKeySJHNOFHYHWZDFC-UHFFFAOYSA-N
XLogP4.85
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 3-piperidin-1-ylphenanthrene-9-carbonitrile 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

CID 449685
CID 449685
CID 24858429
CID 24858429
CID 68707555
CID 68707555
CID 68707868
CID 68707868
CID 68713946
CID 68713946
CID 3044599
CID 3044599
CID 2327119
CID 2327119
CID 9903341
CID 9903341
CID 11715539
CID 11715539
CID 15723887
CID 15723887
CID 15723897
CID 15723897
CID 23079916
CID 23079916

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-ylphenanthrene-9-carbonitrile?
The IUPAC name of 3-piperidin-1-ylphenanthrene-9-carbonitrile (CID 155548874) is 3-piperidin-1-ylphenanthrene-9-carbonitrile.
What is the SMILES notation for 3-piperidin-1-ylphenanthrene-9-carbonitrile?
The canonical SMILES for 3-piperidin-1-ylphenanthrene-9-carbonitrile is N#Cc1cc2ccc(N3CCCCC3)cc2c2ccccc12.
What is the InChIKey of 3-piperidin-1-ylphenanthrene-9-carbonitrile?
The InChIKey is SJHNOFHYHWZDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2/c21-14-16-12-15-8-9-17(22-10-4-1-5-11-22)13-20(15)19-7-3-2-6-18(16)19/h2-3,6-9,12-13H,1,4-5,10-11H2.
What are the key properties of 3-piperidin-1-ylphenanthrene-9-carbonitrile?
3-piperidin-1-ylphenanthrene-9-carbonitrile has a molecular weight of 286.38 g/mol, XLogP of 4.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-ylphenanthrene-9-carbonitrile is sourced from PubChem (CID 155548874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).