ethyl 4-(4-cyanophenyl)piperidine-1-carboxylate

C15H18N2O2 — CID 67435574

IUPACethyl 4-(4-cyanophenyl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(c2ccc(C#N)cc2)CC1
InChIInChI=1S/C15H18N2O2/c1-2-19-15(18)17-9-7-14(8-10-17)13-5-3-12(11-16)4-6-13/h3-6,14H,2,7-10H2,1H3
InChIKeyPJLIQFMBGPGRFP-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.89
Rot. Bonds2

About ethyl 4-(4-cyanophenyl)piperidine-1-carboxylate

ethyl 4-(4-cyanophenyl)piperidine-1-carboxylate (PubChem CID 67435574) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is ethyl 4-(4-cyanophenyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-cyanophenyl)piperidine-1-carboxylate
PubChem CID67435574
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Nameethyl 4-(4-cyanophenyl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(c2ccc(C#N)cc2)CC1
InChIInChI=1S/C15H18N2O2/c1-2-19-15(18)17-9-7-14(8-10-17)13-5-3-12(11-16)4-6-13/h3-6,14H,2,7-10H2,1H3
InChIKeyPJLIQFMBGPGRFP-UHFFFAOYSA-N
XLogP2.89
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[(4-cyanobenzoyl)amino]piperidine-1-carboxylate
CID 17473701
ethyl 4-[[3-(4-cyanoanilino)-3-oxopropanoyl]amino]piperidine-1-carboxylate
CID 108950286
4-[1-(oxirane-2-carbonyl)piperidin-4-yl]benzonitrile
CID 154880231
4-[1-(2-methylcyclobutanecarbonyl)piperidin-4-yl]benzonitrile
CID 174892501
4-[1-[1-(4-methylphenyl)ethenyl]piperidin-4-yl]benzonitrile
CID 130216383
ethyl 4-[[2-[(4-cyanophenyl)methylsulfanyl]acetyl]amino]piperidine-1-carboxylate
CID 55739746
methyl 2,3-bis[4-(4-cyanophenyl)piperidine-1-carbonyl]-4,6-diethylbenzoate
CID 175395318
ethyl 4-[[4-[(4-cyanophenyl)methyl]piperazine-1-carbonyl]amino]piperidine-1-carboxylate
CID 55457022
ethyl 4-(4-pyridin-4-ylpiperidin-1-yl)piperidine-1-carboxylate
CID 78318993
4-[1-(4-cyclobutyl-2-methylbenzoyl)piperidin-4-yl]benzonitrile
CID 141349847
butyl 4-(4-aminophenyl)piperidine-1-carboxylate
CID 90886963
N-amino-N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2,4-diethylphenyl]formamide
CID 175281300

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-cyanophenyl)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(4-cyanophenyl)piperidine-1-carboxylate (CID 67435574) is ethyl 4-(4-cyanophenyl)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(4-cyanophenyl)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(4-cyanophenyl)piperidine-1-carboxylate is CCOC(=O)N1CCC(c2ccc(C#N)cc2)CC1.
What is the InChIKey of ethyl 4-(4-cyanophenyl)piperidine-1-carboxylate?
The InChIKey is PJLIQFMBGPGRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-2-19-15(18)17-9-7-14(8-10-17)13-5-3-12(11-16)4-6-13/h3-6,14H,2,7-10H2,1H3.
What are the key properties of ethyl 4-(4-cyanophenyl)piperidine-1-carboxylate?
ethyl 4-(4-cyanophenyl)piperidine-1-carboxylate has a molecular weight of 258.32 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-cyanophenyl)piperidine-1-carboxylate is sourced from PubChem (CID 67435574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).