phenyl 4-[[4-(1-aminoethenyl)phenyl]methyl]piperidine-1-carboxylate

C21H24N2O2 — CID 89198381

IUPACphenyl 4-[[4-(1-aminoethenyl)phenyl]methyl]piperidine-1-carboxylate
SMILESC=C(N)c1ccc(CC2CCN(C(=O)Oc3ccccc3)CC2)cc1
InChIInChI=1S/C21H24N2O2/c1-16(22)19-9-7-17(8-10-19)15-18-11-13-23(14-12-18)21(24)25-20-5-3-2-4-6-20/h2-10,18H,1,11-15,22H2
InChIKeyWCFWXRUXUZYMQG-UHFFFAOYSA-N
MW336.44 g/mol
LogP4.07
Rot. Bonds4

About phenyl 4-[[4-(1-aminoethenyl)phenyl]methyl]piperidine-1-carboxylate

phenyl 4-[[4-(1-aminoethenyl)phenyl]methyl]piperidine-1-carboxylate (PubChem CID 89198381) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is phenyl 4-[[4-(1-aminoethenyl)phenyl]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namephenyl 4-[[4-(1-aminoethenyl)phenyl]methyl]piperidine-1-carboxylate
PubChem CID89198381
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Namephenyl 4-[[4-(1-aminoethenyl)phenyl]methyl]piperidine-1-carboxylate
SMILESC=C(N)c1ccc(CC2CCN(C(=O)Oc3ccccc3)CC2)cc1
InChIInChI=1S/C21H24N2O2/c1-16(22)19-9-7-17(8-10-19)15-18-11-13-23(14-12-18)21(24)25-20-5-3-2-4-6-20/h2-10,18H,1,11-15,22H2
InChIKeyWCFWXRUXUZYMQG-UHFFFAOYSA-N
XLogP4.07
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-benzylpiperidine-1-carboxylate
CID 3561633
phenyl 4-propylpiperidine-1-carboxylate
CID 64591892
phenyl 4-(methoxymethyl)piperidine-1-carboxylate
CID 63999252
9H-fluoren-9-ylmethyl 4-benzylpiperidine-1-carboxylate
CID 102221470
phenyl 3-aminopyrrolidine-1-carboxylate
CID 62067214
ethyl 4-(4-benzylpiperidine-1-carbonyl)piperidine-1-carboxylate
CID 113005741
isoquinolin-3-yl 4-benzylpiperidine-1-carboxylate
CID 59825511
phenyl 3-(methoxymethyl)pyrrolidine-1-carboxylate
CID 64591522
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
phenyl 4-phenoxypiperidine-1-carboxylate
CID 110396730
benzyl 4-[(2-aminophenyl)methyl]piperidine-1-carboxylate
CID 66689754
4-O-ethyl 1-O-phenyl piperidine-1,4-dicarboxylate
CID 3851418

Frequently Asked Questions

What is the IUPAC name of phenyl 4-[[4-(1-aminoethenyl)phenyl]methyl]piperidine-1-carboxylate?
The IUPAC name of phenyl 4-[[4-(1-aminoethenyl)phenyl]methyl]piperidine-1-carboxylate (CID 89198381) is phenyl 4-[[4-(1-aminoethenyl)phenyl]methyl]piperidine-1-carboxylate.
What is the SMILES notation for phenyl 4-[[4-(1-aminoethenyl)phenyl]methyl]piperidine-1-carboxylate?
The canonical SMILES for phenyl 4-[[4-(1-aminoethenyl)phenyl]methyl]piperidine-1-carboxylate is C=C(N)c1ccc(CC2CCN(C(=O)Oc3ccccc3)CC2)cc1.
What is the InChIKey of phenyl 4-[[4-(1-aminoethenyl)phenyl]methyl]piperidine-1-carboxylate?
The InChIKey is WCFWXRUXUZYMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-16(22)19-9-7-17(8-10-19)15-18-11-13-23(14-12-18)21(24)25-20-5-3-2-4-6-20/h2-10,18H,1,11-15,22H2.
What are the key properties of phenyl 4-[[4-(1-aminoethenyl)phenyl]methyl]piperidine-1-carboxylate?
phenyl 4-[[4-(1-aminoethenyl)phenyl]methyl]piperidine-1-carboxylate has a molecular weight of 336.44 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 4-[[4-(1-aminoethenyl)phenyl]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 89198381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).