3-(2-aminoethyl)-1-benzyl-N,N-dimethylpiperidin-3-amine

C16H27N3 — CID 83693634

IUPAC3-(2-aminoethyl)-1-benzyl-N,N-dimethylpiperidin-3-amine
SMILESCN(C)C1(CCN)CCCN(Cc2ccccc2)C1
InChIInChI=1S/C16H27N3/c1-18(2)16(10-11-17)9-6-12-19(14-16)13-15-7-4-3-5-8-15/h3-5,7-8H,6,9-14,17H2,1-2H3
InChIKeyRDUKQXKFTZUMOX-UHFFFAOYSA-N
MW261.41 g/mol
LogP1.93
Rot. Bonds5

About 3-(2-aminoethyl)-1-benzyl-N,N-dimethylpiperidin-3-amine

3-(2-aminoethyl)-1-benzyl-N,N-dimethylpiperidin-3-amine (PubChem CID 83693634) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 3-(2-aminoethyl)-1-benzyl-N,N-dimethylpiperidin-3-amine.

Molecular Properties

Compound Name3-(2-aminoethyl)-1-benzyl-N,N-dimethylpiperidin-3-amine
PubChem CID83693634
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name3-(2-aminoethyl)-1-benzyl-N,N-dimethylpiperidin-3-amine
SMILESCN(C)C1(CCN)CCCN(Cc2ccccc2)C1
InChIInChI=1S/C16H27N3/c1-18(2)16(10-11-17)9-6-12-19(14-16)13-15-7-4-3-5-8-15/h3-5,7-8H,6,9-14,17H2,1-2H3
InChIKeyRDUKQXKFTZUMOX-UHFFFAOYSA-N
XLogP1.93
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-1-benzyl-N-methyl-N-propylpiperidin-3-amine
CID 43271053
3-(aminomethyl)-1-benzyl-N-butan-2-yl-N-methylpiperidin-3-amine
CID 43272761
3-(aminomethyl)-1-benzyl-N-(cyclopropylmethyl)-N-methylpiperidin-3-amine
CID 60985649
1-benzyl-3-methylpiperidin-3-ol
CID 15283107
1-benzyl-3-fluoro-3-methylpiperidine
CID 136545779
(3S)-1-benzyl-3-methylpiperidine-3-thiol
CID 97176105
(3S)-1-benzyl-3-bromo-3-methylpiperidine
CID 97176093
3-(aminomethyl)-1-benzyl-N-butan-2-yl-N-methylpyrrolidin-3-amine
CID 43272771
3-(aminomethyl)-1-benzyl-N-(2-methoxyethyl)-N-methylpyrrolidin-3-amine
CID 61427796
[(3S)-3-amino-1-benzylpiperidin-3-yl]methanol
CID 51892328
3-(aminomethyl)-1-benzyl-N-methyl-N-pentylpyrrolidin-3-amine
CID 43294664
1-benzyl-3-(4-chlorophenyl)piperidin-3-amine
CID 130137250

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-1-benzyl-N,N-dimethylpiperidin-3-amine?
The IUPAC name of 3-(2-aminoethyl)-1-benzyl-N,N-dimethylpiperidin-3-amine (CID 83693634) is 3-(2-aminoethyl)-1-benzyl-N,N-dimethylpiperidin-3-amine.
What is the SMILES notation for 3-(2-aminoethyl)-1-benzyl-N,N-dimethylpiperidin-3-amine?
The canonical SMILES for 3-(2-aminoethyl)-1-benzyl-N,N-dimethylpiperidin-3-amine is CN(C)C1(CCN)CCCN(Cc2ccccc2)C1.
What is the InChIKey of 3-(2-aminoethyl)-1-benzyl-N,N-dimethylpiperidin-3-amine?
The InChIKey is RDUKQXKFTZUMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-18(2)16(10-11-17)9-6-12-19(14-16)13-15-7-4-3-5-8-15/h3-5,7-8H,6,9-14,17H2,1-2H3.
What are the key properties of 3-(2-aminoethyl)-1-benzyl-N,N-dimethylpiperidin-3-amine?
3-(2-aminoethyl)-1-benzyl-N,N-dimethylpiperidin-3-amine has a molecular weight of 261.41 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-1-benzyl-N,N-dimethylpiperidin-3-amine is sourced from PubChem (CID 83693634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).