1-piperidin-1-yl-3-pyridin-2-yl-9,10-dihydrophenanthrene-2-carbonitrile

C25H23N3 — CID 72697177

IUPAC1-piperidin-1-yl-3-pyridin-2-yl-9,10-dihydrophenanthrene-2-carbonitrile
SMILESN#Cc1c(-c2ccccn2)cc2c(c1N1CCCCC1)CCc1ccccc1-2
InChIInChI=1S/C25H23N3/c26-17-23-22(24-10-4-5-13-27-24)16-21-19-9-3-2-8-18(19)11-12-20(21)25(23)28-14-6-1-7-15-28/h2-5,8-10,13,16H,1,6-7,11-12,14-15H2
InChIKeyVHTXWEHIDBYHHX-UHFFFAOYSA-N
MW365.48 g/mol
LogP5.38
Rot. Bonds2

About 1-piperidin-1-yl-3-pyridin-2-yl-9,10-dihydrophenanthrene-2-carbonitrile

1-piperidin-1-yl-3-pyridin-2-yl-9,10-dihydrophenanthrene-2-carbonitrile (PubChem CID 72697177) has the molecular formula C25H23N3 and a molecular weight of 365.48 g/mol. Its IUPAC name is 1-piperidin-1-yl-3-pyridin-2-yl-9,10-dihydrophenanthrene-2-carbonitrile.

Molecular Properties

Compound Name1-piperidin-1-yl-3-pyridin-2-yl-9,10-dihydrophenanthrene-2-carbonitrile
PubChem CID72697177
Molecular FormulaC25H23N3
Molecular Weight365.48 g/mol
Exact Mass365.19
IUPAC Name1-piperidin-1-yl-3-pyridin-2-yl-9,10-dihydrophenanthrene-2-carbonitrile
SMILESN#Cc1c(-c2ccccn2)cc2c(c1N1CCCCC1)CCc1ccccc1-2
InChIInChI=1S/C25H23N3/c26-17-23-22(24-10-4-5-13-27-24)16-21-19-9-3-2-8-18(19)11-12-20(21)25(23)28-14-6-1-7-15-28/h2-5,8-10,13,16H,1,6-7,11-12,14-15H2
InChIKeyVHTXWEHIDBYHHX-UHFFFAOYSA-N
XLogP5.38
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.48
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chlorophenyl)-1-piperidin-1-yl-9,10-dihydrophenanthrene-2-carbonitrile
CID 23583445
4-phenyl-2-pyridin-2-yl-6-pyrrolidin-1-ylbenzonitrile
CID 72697030
7-naphthalen-2-yl-9-piperidin-1-yl-5,6-dihydrobenzo[f]quinoline-10-carbonitrile
CID 102290398
2-[2-(1,2,5,6-tetrahydrochrysen-4-yl)phenyl]pyridine;hydrochloride
CID 175234343
2-pyridin-2-ylphenol;hydrate
CID 175244966
4-(3-pyridin-2-ylphenyl)benzene-1,2,3-tricarbonitrile
CID 126496802
3,4,5,6-tetrahydro-2H-chrysen-1-one
CID 14148821
12-(3,4-dihydro-1H-isoquinolin-2-yl)pentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,16,18,20-nonaene-11-carbonitrile
CID 102081518
4-piperidin-1-yl-5,6-dihydrobenzo[h]quinazolin-2-amine
CID 56950109
3-pyridin-2-yl-4,5-dihydro-2H-benzo[g]indazole
CID 18426085
9,10-dihydrophenanthrene-2-carbonitrile
CID 141332736
2-[2-oxo-5-pyridin-2-yl-1-(6-pyrrolidin-1-yl-3-pyridinyl)-3-pyridinyl]benzonitrile
CID 22318960

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-3-pyridin-2-yl-9,10-dihydrophenanthrene-2-carbonitrile?
The IUPAC name of 1-piperidin-1-yl-3-pyridin-2-yl-9,10-dihydrophenanthrene-2-carbonitrile (CID 72697177) is 1-piperidin-1-yl-3-pyridin-2-yl-9,10-dihydrophenanthrene-2-carbonitrile.
What is the SMILES notation for 1-piperidin-1-yl-3-pyridin-2-yl-9,10-dihydrophenanthrene-2-carbonitrile?
The canonical SMILES for 1-piperidin-1-yl-3-pyridin-2-yl-9,10-dihydrophenanthrene-2-carbonitrile is N#Cc1c(-c2ccccn2)cc2c(c1N1CCCCC1)CCc1ccccc1-2.
What is the InChIKey of 1-piperidin-1-yl-3-pyridin-2-yl-9,10-dihydrophenanthrene-2-carbonitrile?
The InChIKey is VHTXWEHIDBYHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3/c26-17-23-22(24-10-4-5-13-27-24)16-21-19-9-3-2-8-18(19)11-12-20(21)25(23)28-14-6-1-7-15-28/h2-5,8-10,13,16H,1,6-7,11-12,14-15H2.
What are the key properties of 1-piperidin-1-yl-3-pyridin-2-yl-9,10-dihydrophenanthrene-2-carbonitrile?
1-piperidin-1-yl-3-pyridin-2-yl-9,10-dihydrophenanthrene-2-carbonitrile has a molecular weight of 365.48 g/mol, XLogP of 5.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-3-pyridin-2-yl-9,10-dihydrophenanthrene-2-carbonitrile is sourced from PubChem (CID 72697177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).