3-piperazin-1-ylphenanthrene-9-carbonitrile

C19H17N3 — CID 155556014

IUPAC3-piperazin-1-ylphenanthrene-9-carbonitrile
SMILESN#Cc1cc2ccc(N3CCNCC3)cc2c2ccccc12
InChIInChI=1S/C19H17N3/c20-13-15-11-14-5-6-16(22-9-7-21-8-10-22)12-19(14)18-4-2-1-3-17(15)18/h1-6,11-12,21H,7-10H2
InChIKeySUXBKOBCQQFWGI-UHFFFAOYSA-N
MW287.37 g/mol
LogP3.27
Rot. Bonds1

About 3-piperazin-1-ylphenanthrene-9-carbonitrile

3-piperazin-1-ylphenanthrene-9-carbonitrile (PubChem CID 155556014) has the molecular formula C19H17N3 and a molecular weight of 287.37 g/mol. Its IUPAC name is 3-piperazin-1-ylphenanthrene-9-carbonitrile.

Molecular Properties

Compound Name3-piperazin-1-ylphenanthrene-9-carbonitrile
PubChem CID155556014
Molecular FormulaC19H17N3
Molecular Weight287.37 g/mol
Exact Mass287.14
IUPAC Name3-piperazin-1-ylphenanthrene-9-carbonitrile
SMILESN#Cc1cc2ccc(N3CCNCC3)cc2c2ccccc12
InChIInChI=1S/C19H17N3/c20-13-15-11-14-5-6-16(22-9-7-21-8-10-22)12-19(14)18-4-2-1-3-17(15)18/h1-6,11-12,21H,7-10H2
InChIKeySUXBKOBCQQFWGI-UHFFFAOYSA-N
XLogP3.27
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1-Naphthyl)piperazine
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1-(Naphthalen-2-yl)piperazine
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Fddnp F-18
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2-(1-(6-((2-Fluoroethyl)(methyl)Amino)-2-naphthyl)ethylidene)malononitrile
CID 24858429
US9205085, Msx-174
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2-(1-[6-(Dimethylamino)-2-naphthyl]ethylidene)malononitrile
CID 9903341
1-Naphthalen-2-yl-4-(3-phenyl-propyl)-piperazine
CID 15723887
1-(3-Naphthalen-2-yl-propyl)-4-phenyl-piperazine
CID 15723897
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N-(4-methylphenyl)-N-(naphthalen-2-ylmethyl)azetidin-3-amine
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N-(azetidin-3-ylmethyl)-N-(naphthalen-2-ylmethyl)aniline
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Frequently Asked Questions

What is the IUPAC name of 3-piperazin-1-ylphenanthrene-9-carbonitrile?
The IUPAC name of 3-piperazin-1-ylphenanthrene-9-carbonitrile (CID 155556014) is 3-piperazin-1-ylphenanthrene-9-carbonitrile.
What is the SMILES notation for 3-piperazin-1-ylphenanthrene-9-carbonitrile?
The canonical SMILES for 3-piperazin-1-ylphenanthrene-9-carbonitrile is N#Cc1cc2ccc(N3CCNCC3)cc2c2ccccc12.
What is the InChIKey of 3-piperazin-1-ylphenanthrene-9-carbonitrile?
The InChIKey is SUXBKOBCQQFWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3/c20-13-15-11-14-5-6-16(22-9-7-21-8-10-22)12-19(14)18-4-2-1-3-17(15)18/h1-6,11-12,21H,7-10H2.
What are the key properties of 3-piperazin-1-ylphenanthrene-9-carbonitrile?
3-piperazin-1-ylphenanthrene-9-carbonitrile has a molecular weight of 287.37 g/mol, XLogP of 3.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperazin-1-ylphenanthrene-9-carbonitrile is sourced from PubChem (CID 155556014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).