N'-[4-(aminomethyl)-1-benzylpiperidin-4-yl]-N,N-dimethyl-N'-propylethane-1,2-diamine

C20H36N4 — CID 113227822

IUPACN'-[4-(aminomethyl)-1-benzylpiperidin-4-yl]-N,N-dimethyl-N'-propylethane-1,2-diamine
SMILESCCCN(CCN(C)C)C1(CN)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H36N4/c1-4-12-24(16-15-22(2)3)20(18-21)10-13-23(14-11-20)17-19-8-6-5-7-9-19/h5-9H,4,10-18,21H2,1-3H3
InChIKeyJUDFFSFHMXYEGG-UHFFFAOYSA-N
MW332.54 g/mol
LogP2.25
Rot. Bonds9

About N'-[4-(aminomethyl)-1-benzylpiperidin-4-yl]-N,N-dimethyl-N'-propylethane-1,2-diamine

N'-[4-(aminomethyl)-1-benzylpiperidin-4-yl]-N,N-dimethyl-N'-propylethane-1,2-diamine (PubChem CID 113227822) has the molecular formula C20H36N4 and a molecular weight of 332.54 g/mol. Its IUPAC name is N'-[4-(aminomethyl)-1-benzylpiperidin-4-yl]-N,N-dimethyl-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[4-(aminomethyl)-1-benzylpiperidin-4-yl]-N,N-dimethyl-N'-propylethane-1,2-diamine
PubChem CID113227822
Molecular FormulaC20H36N4
Molecular Weight332.54 g/mol
Exact Mass332.29
IUPAC NameN'-[4-(aminomethyl)-1-benzylpiperidin-4-yl]-N,N-dimethyl-N'-propylethane-1,2-diamine
SMILESCCCN(CCN(C)C)C1(CN)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H36N4/c1-4-12-24(16-15-22(2)3)20(18-21)10-13-23(14-11-20)17-19-8-6-5-7-9-19/h5-9H,4,10-18,21H2,1-3H3
InChIKeyJUDFFSFHMXYEGG-UHFFFAOYSA-N
XLogP2.25
TPSA35.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.54
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-1-benzyl-N-methyl-N-pentylpyrrolidin-3-amine
CID 43294664
3-(aminomethyl)-1-benzyl-N-methyl-N-propylpiperidin-3-amine
CID 43271053
3-(aminomethyl)-1-benzyl-N-butan-2-yl-N-methylpyrrolidin-3-amine
CID 43272771
3-(aminomethyl)-1-benzyl-N-(2-ethoxyethyl)-N-methylpyrrolidin-3-amine
CID 81035394
1-(aminomethyl)-N-benzyl-N-propylcycloheptan-1-amine
CID 63480657
3-(aminomethyl)-1-benzyl-N-(2-methoxyethyl)-N-methylpyrrolidin-3-amine
CID 61427796
N,1-dibenzyl-4-(fluoromethyl)-N-methylpiperidin-4-amine
CID 54229250
4-(aminomethyl)-1-benzyl-N-propylpiperidin-4-amine
CID 55030312
(1-benzyl-4-cyclopropylpiperidin-4-yl)methanamine
CID 21036983
4-(aminomethyl)-N-benzyl-N-methyl-1-propylazepan-4-amine
CID 65078408
4-(aminomethyl)-1-benzylpiperidin-4-ol;hydrochloride
CID 122236517
N'-[1-(aminomethyl)-4,4-dimethylcycloheptyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 65088625

Frequently Asked Questions

What is the IUPAC name of N'-[4-(aminomethyl)-1-benzylpiperidin-4-yl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
The IUPAC name of N'-[4-(aminomethyl)-1-benzylpiperidin-4-yl]-N,N-dimethyl-N'-propylethane-1,2-diamine (CID 113227822) is N'-[4-(aminomethyl)-1-benzylpiperidin-4-yl]-N,N-dimethyl-N'-propylethane-1,2-diamine.
What is the SMILES notation for N'-[4-(aminomethyl)-1-benzylpiperidin-4-yl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
The canonical SMILES for N'-[4-(aminomethyl)-1-benzylpiperidin-4-yl]-N,N-dimethyl-N'-propylethane-1,2-diamine is CCCN(CCN(C)C)C1(CN)CCN(Cc2ccccc2)CC1.
What is the InChIKey of N'-[4-(aminomethyl)-1-benzylpiperidin-4-yl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
The InChIKey is JUDFFSFHMXYEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N4/c1-4-12-24(16-15-22(2)3)20(18-21)10-13-23(14-11-20)17-19-8-6-5-7-9-19/h5-9H,4,10-18,21H2,1-3H3.
What are the key properties of N'-[4-(aminomethyl)-1-benzylpiperidin-4-yl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
N'-[4-(aminomethyl)-1-benzylpiperidin-4-yl]-N,N-dimethyl-N'-propylethane-1,2-diamine has a molecular weight of 332.54 g/mol, XLogP of 2.25, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(aminomethyl)-1-benzylpiperidin-4-yl]-N,N-dimethyl-N'-propylethane-1,2-diamine is sourced from PubChem (CID 113227822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).