ethyl 4-anilino-1-ethylpiperidine-4-carboxylate

C16H24N2O2 — CID 60992582

IUPACethyl 4-anilino-1-ethylpiperidine-4-carboxylate
SMILESCCOC(=O)C1(Nc2ccccc2)CCN(CC)CC1
InChIInChI=1S/C16H24N2O2/c1-3-18-12-10-16(11-13-18,15(19)20-4-2)17-14-8-6-5-7-9-14/h5-9,17H,3-4,10-13H2,1-2H3
InChIKeyUXUYCTJZOFNTEB-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.52
Rot. Bonds5

About ethyl 4-anilino-1-ethylpiperidine-4-carboxylate

ethyl 4-anilino-1-ethylpiperidine-4-carboxylate (PubChem CID 60992582) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is ethyl 4-anilino-1-ethylpiperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 4-anilino-1-ethylpiperidine-4-carboxylate
PubChem CID60992582
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Nameethyl 4-anilino-1-ethylpiperidine-4-carboxylate
SMILESCCOC(=O)C1(Nc2ccccc2)CCN(CC)CC1
InChIInChI=1S/C16H24N2O2/c1-3-18-12-10-16(11-13-18,15(19)20-4-2)17-14-8-6-5-7-9-14/h5-9,17H,3-4,10-13H2,1-2H3
InChIKeyUXUYCTJZOFNTEB-UHFFFAOYSA-N
XLogP2.52
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-anilino-1-cyclopropylpyrrolidine-3-carboxylate
CID 62976587
methyl 1-ethyl-4-(3-methoxyanilino)piperidine-4-carboxylate
CID 60993286
ethyl 1-anilino-4-ethylcycloheptane-1-carboxylate
CID 65085501
ethyl 3-anilino-1,5-dimethylpyrrolidine-3-carboxylate
CID 81467504
ethyl 4-(methylamino)-1-(2-phenylethyl)piperidine-4-carboxylate
CID 60791020
ethyl 1-(4-methylanilino)cyclopentane-1-carboxylate
CID 54889893
4-(3-bromoanilino)-1-ethylpiperidine-4-carboxylic acid
CID 54890731
ethyl 4-benzamido-1-benzylpiperidine-4-carboxylate
CID 3044661
methyl 1-ethyl-4-(3-fluoro-5-methylanilino)piperidine-4-carboxylate
CID 79044565
ethyl 4-(4-fluoroanilino)-1-methylazepane-4-carboxylate
CID 65075163
ethyl 1-ethyl-4-(propan-2-ylamino)piperidine-4-carboxylate
CID 60787165
4-(2-bromoanilino)-1-ethylpiperidine-4-carboxamide
CID 54892029

Frequently Asked Questions

What is the IUPAC name of ethyl 4-anilino-1-ethylpiperidine-4-carboxylate?
The IUPAC name of ethyl 4-anilino-1-ethylpiperidine-4-carboxylate (CID 60992582) is ethyl 4-anilino-1-ethylpiperidine-4-carboxylate.
What is the SMILES notation for ethyl 4-anilino-1-ethylpiperidine-4-carboxylate?
The canonical SMILES for ethyl 4-anilino-1-ethylpiperidine-4-carboxylate is CCOC(=O)C1(Nc2ccccc2)CCN(CC)CC1.
What is the InChIKey of ethyl 4-anilino-1-ethylpiperidine-4-carboxylate?
The InChIKey is UXUYCTJZOFNTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-18-12-10-16(11-13-18,15(19)20-4-2)17-14-8-6-5-7-9-14/h5-9,17H,3-4,10-13H2,1-2H3.
What are the key properties of ethyl 4-anilino-1-ethylpiperidine-4-carboxylate?
ethyl 4-anilino-1-ethylpiperidine-4-carboxylate has a molecular weight of 276.38 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-anilino-1-ethylpiperidine-4-carboxylate is sourced from PubChem (CID 60992582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).