ethyl 1-[[4-(dimethylamino)phenyl]methyl]piperidine-4-carboxylate

C17H26N2O2 — CID 763998

IUPACethyl 1-[[4-(dimethylamino)phenyl]methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cc2ccc(N(C)C)cc2)CC1
InChIInChI=1S/C17H26N2O2/c1-4-21-17(20)15-9-11-19(12-10-15)13-14-5-7-16(8-6-14)18(2)3/h5-8,15H,4,9-13H2,1-3H3
InChIKeyCMZWPHXJBDKOEM-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.53
Rot. Bonds5

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

ethyl 1-[[4-(dimethylamino)phenyl]methyl]piperidine-4-carboxylate (PubChem CID 763998) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is ethyl 1-[[4-(dimethylamino)phenyl]methyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[[4-(dimethylamino)phenyl]methyl]piperidine-4-carboxylate
PubChem CID763998
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Nameethyl 1-[[4-(dimethylamino)phenyl]methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cc2ccc(N(C)C)cc2)CC1
InChIInChI=1S/C17H26N2O2/c1-4-21-17(20)15-9-11-19(12-10-15)13-14-5-7-16(8-6-14)18(2)3/h5-8,15H,4,9-13H2,1-3H3
InChIKeyCMZWPHXJBDKOEM-UHFFFAOYSA-N
XLogP2.53
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[[4-(dimethylamino)phenyl]methyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[[4-(dimethylamino)phenyl]methyl]piperidine-4-carboxylate (CID 763998) is ethyl 1-[[4-(dimethylamino)phenyl]methyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[[4-(dimethylamino)phenyl]methyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[[4-(dimethylamino)phenyl]methyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(Cc2ccc(N(C)C)cc2)CC1.
What is the InChIKey of ethyl 1-[[4-(dimethylamino)phenyl]methyl]piperidine-4-carboxylate?
The InChIKey is CMZWPHXJBDKOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-21-17(20)15-9-11-19(12-10-15)13-14-5-7-16(8-6-14)18(2)3/h5-8,15H,4,9-13H2,1-3H3.
What are the key properties of ethyl 1-[[4-(dimethylamino)phenyl]methyl]piperidine-4-carboxylate?
ethyl 1-[[4-(dimethylamino)phenyl]methyl]piperidine-4-carboxylate has a molecular weight of 290.41 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[[4-(dimethylamino)phenyl]methyl]piperidine-4-carboxylate is sourced from PubChem (CID 763998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).