1-N-ethyl-4-N-methyl-1-N-phenylpiperidine-1,4-diamine

C14H23N3 — CID 22285651

IUPAC1-N-ethyl-4-N-methyl-1-N-phenylpiperidine-1,4-diamine
SMILESCCN(c1ccccc1)N1CCC(NC)CC1
InChIInChI=1S/C14H23N3/c1-3-17(14-7-5-4-6-8-14)16-11-9-13(15-2)10-12-16/h4-8,13,15H,3,9-12H2,1-2H3
InChIKeyYCVPXPUDZQNWJK-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.11
Rot. Bonds4

About 1-N-ethyl-4-N-methyl-1-N-phenylpiperidine-1,4-diamine

1-N-ethyl-4-N-methyl-1-N-phenylpiperidine-1,4-diamine (PubChem CID 22285651) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-N-ethyl-4-N-methyl-1-N-phenylpiperidine-1,4-diamine.

Molecular Properties

Compound Name1-N-ethyl-4-N-methyl-1-N-phenylpiperidine-1,4-diamine
PubChem CID22285651
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name1-N-ethyl-4-N-methyl-1-N-phenylpiperidine-1,4-diamine
SMILESCCN(c1ccccc1)N1CCC(NC)CC1
InChIInChI=1S/C14H23N3/c1-3-17(14-7-5-4-6-8-14)16-11-9-13(15-2)10-12-16/h4-8,13,15H,3,9-12H2,1-2H3
InChIKeyYCVPXPUDZQNWJK-UHFFFAOYSA-N
XLogP2.11
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-4-N-methyl-1-N-phenylpiperidine-1,4-diamine?
The IUPAC name of 1-N-ethyl-4-N-methyl-1-N-phenylpiperidine-1,4-diamine (CID 22285651) is 1-N-ethyl-4-N-methyl-1-N-phenylpiperidine-1,4-diamine.
What is the SMILES notation for 1-N-ethyl-4-N-methyl-1-N-phenylpiperidine-1,4-diamine?
The canonical SMILES for 1-N-ethyl-4-N-methyl-1-N-phenylpiperidine-1,4-diamine is CCN(c1ccccc1)N1CCC(NC)CC1.
What is the InChIKey of 1-N-ethyl-4-N-methyl-1-N-phenylpiperidine-1,4-diamine?
The InChIKey is YCVPXPUDZQNWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-3-17(14-7-5-4-6-8-14)16-11-9-13(15-2)10-12-16/h4-8,13,15H,3,9-12H2,1-2H3.
What are the key properties of 1-N-ethyl-4-N-methyl-1-N-phenylpiperidine-1,4-diamine?
1-N-ethyl-4-N-methyl-1-N-phenylpiperidine-1,4-diamine has a molecular weight of 233.36 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-4-N-methyl-1-N-phenylpiperidine-1,4-diamine is sourced from PubChem (CID 22285651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).