3-N-benzyl-1-ethyl-3-N-methylpiperidine-3,4-diamine

C15H25N3 — CID 82171492

IUPAC3-N-benzyl-1-ethyl-3-N-methylpiperidine-3,4-diamine
SMILESCCN1CCC(N)C(N(C)Cc2ccccc2)C1
InChIInChI=1S/C15H25N3/c1-3-18-10-9-14(16)15(12-18)17(2)11-13-7-5-4-6-8-13/h4-8,14-15H,3,9-12,16H2,1-2H3
InChIKeyLOFAHESOWUWPQX-UHFFFAOYSA-N
MW247.39 g/mol
LogP1.54
Rot. Bonds4

About 3-N-benzyl-1-ethyl-3-N-methylpiperidine-3,4-diamine

3-N-benzyl-1-ethyl-3-N-methylpiperidine-3,4-diamine (PubChem CID 82171492) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 3-N-benzyl-1-ethyl-3-N-methylpiperidine-3,4-diamine.

Molecular Properties

Compound Name3-N-benzyl-1-ethyl-3-N-methylpiperidine-3,4-diamine
PubChem CID82171492
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name3-N-benzyl-1-ethyl-3-N-methylpiperidine-3,4-diamine
SMILESCCN1CCC(N)C(N(C)Cc2ccccc2)C1
InChIInChI=1S/C15H25N3/c1-3-18-10-9-14(16)15(12-18)17(2)11-13-7-5-4-6-8-13/h4-8,14-15H,3,9-12,16H2,1-2H3
InChIKeyLOFAHESOWUWPQX-UHFFFAOYSA-N
XLogP1.54
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-amino-3-ethylpiperidin-1-yl)-N-benzyl-N-methylacetamide
CID 81452559
1-(1-ethylpiperidin-4-yl)-2-phenylethanamine
CID 142846398
(3S,4S)-1-benzyl-3-methylpiperidin-4-amine
CID 34178997
(3R,4R)-3-benzyl-1-propylpiperidin-4-amine
CID 124748447
N-(1-benzylpyrrolidin-3-yl)-1-ethylpiperidin-4-amine
CID 43223634
(3R,4R)-1-ethyl-4-(4-phenylphenyl)piperidin-3-amine
CID 68549689
(3S,4S)-N-[(2-chlorophenyl)methyl]-1-ethyl-N,3-dimethylpiperidin-4-amine
CID 100839078
(3S)-1-(2-aminoethyl)-N-benzyl-N-ethylpyrrolidin-3-amine
CID 66567005
N-benzyl-1-[(4-chlorophenyl)methyl]-N-methylpiperidin-4-amine
CID 806863
(3S,4R)-4-amino-1-benzylpiperidin-3-ol;hydrochloride
CID 67227523
(3R,4R)-4-amino-1-benzylpiperidin-3-ol;dihydrochloride
CID 163338239
N-benzyl-N-methyl-2-(methylaminomethyl)cyclobutan-1-amine
CID 80998660

Frequently Asked Questions

What is the IUPAC name of 3-N-benzyl-1-ethyl-3-N-methylpiperidine-3,4-diamine?
The IUPAC name of 3-N-benzyl-1-ethyl-3-N-methylpiperidine-3,4-diamine (CID 82171492) is 3-N-benzyl-1-ethyl-3-N-methylpiperidine-3,4-diamine.
What is the SMILES notation for 3-N-benzyl-1-ethyl-3-N-methylpiperidine-3,4-diamine?
The canonical SMILES for 3-N-benzyl-1-ethyl-3-N-methylpiperidine-3,4-diamine is CCN1CCC(N)C(N(C)Cc2ccccc2)C1.
What is the InChIKey of 3-N-benzyl-1-ethyl-3-N-methylpiperidine-3,4-diamine?
The InChIKey is LOFAHESOWUWPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-3-18-10-9-14(16)15(12-18)17(2)11-13-7-5-4-6-8-13/h4-8,14-15H,3,9-12,16H2,1-2H3.
What are the key properties of 3-N-benzyl-1-ethyl-3-N-methylpiperidine-3,4-diamine?
3-N-benzyl-1-ethyl-3-N-methylpiperidine-3,4-diamine has a molecular weight of 247.39 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-benzyl-1-ethyl-3-N-methylpiperidine-3,4-diamine is sourced from PubChem (CID 82171492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).