N'-benzyl-N'-methyl-N-piperidin-4-ylpropane-1,3-diamine

C16H27N3 — CID 54903001

IUPACN'-benzyl-N'-methyl-N-piperidin-4-ylpropane-1,3-diamine
SMILESCN(CCCNC1CCNCC1)Cc1ccccc1
InChIInChI=1S/C16H27N3/c1-19(14-15-6-3-2-4-7-15)13-5-10-18-16-8-11-17-12-9-16/h2-4,6-7,16-18H,5,8-14H2,1H3
InChIKeyIBHMGUFTRYZTFJ-UHFFFAOYSA-N
MW261.41 g/mol
LogP1.85
Rot. Bonds7

About N'-benzyl-N'-methyl-N-piperidin-4-ylpropane-1,3-diamine

N'-benzyl-N'-methyl-N-piperidin-4-ylpropane-1,3-diamine (PubChem CID 54903001) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N'-benzyl-N'-methyl-N-piperidin-4-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-benzyl-N'-methyl-N-piperidin-4-ylpropane-1,3-diamine
PubChem CID54903001
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC NameN'-benzyl-N'-methyl-N-piperidin-4-ylpropane-1,3-diamine
SMILESCN(CCCNC1CCNCC1)Cc1ccccc1
InChIInChI=1S/C16H27N3/c1-19(14-15-6-3-2-4-7-15)13-5-10-18-16-8-11-17-12-9-16/h2-4,6-7,16-18H,5,8-14H2,1H3
InChIKeyIBHMGUFTRYZTFJ-UHFFFAOYSA-N
XLogP1.85
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-benzyl-N'-methyl-N-(4-methylcyclohexyl)propane-1,3-diamine
CID 29287205
N'-benzyl-N-(3,3-dimethylcyclopentyl)-N'-methylpropane-1,3-diamine
CID 80693376
N-(4-phenylbutyl)piperidin-4-amine
CID 44592823
N'-benzyl-N'-methyl-N-(2-methylcyclohexyl)propane-1,3-diamine
CID 43081939
N'-benzyl-N-(2-bicyclo[2.2.1]heptanyl)-N'-methylpropane-1,3-diamine
CID 61308766
N'-benzyl-N'-methyl-N-(piperidin-3-ylmethyl)propane-1,3-diamine
CID 80553136
N-benzyl-N-methyl-2-piperidin-4-yloxyethanamine
CID 63903578
N-cyclopropyl-N'-[(4-methoxyphenyl)methyl]-N'-methylpropane-1,3-diamine
CID 55071227
N'-benzyl-N'-methyl-N-(thietan-3-yl)ethane-1,2-diamine
CID 131036276
N'-benzyl-N-(cyclobutylmethyl)-N'-methylpropane-1,3-diamine
CID 65459626
N-[3-[benzyl(methyl)amino]propyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119835652
N-cyclopentyl-N'-[(4-methoxyphenyl)methyl]-N'-methylpropane-1,3-diamine
CID 62563443

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-methyl-N-piperidin-4-ylpropane-1,3-diamine?
The IUPAC name of N'-benzyl-N'-methyl-N-piperidin-4-ylpropane-1,3-diamine (CID 54903001) is N'-benzyl-N'-methyl-N-piperidin-4-ylpropane-1,3-diamine.
What is the SMILES notation for N'-benzyl-N'-methyl-N-piperidin-4-ylpropane-1,3-diamine?
The canonical SMILES for N'-benzyl-N'-methyl-N-piperidin-4-ylpropane-1,3-diamine is CN(CCCNC1CCNCC1)Cc1ccccc1.
What is the InChIKey of N'-benzyl-N'-methyl-N-piperidin-4-ylpropane-1,3-diamine?
The InChIKey is IBHMGUFTRYZTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-19(14-15-6-3-2-4-7-15)13-5-10-18-16-8-11-17-12-9-16/h2-4,6-7,16-18H,5,8-14H2,1H3.
What are the key properties of N'-benzyl-N'-methyl-N-piperidin-4-ylpropane-1,3-diamine?
N'-benzyl-N'-methyl-N-piperidin-4-ylpropane-1,3-diamine has a molecular weight of 261.41 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-methyl-N-piperidin-4-ylpropane-1,3-diamine is sourced from PubChem (CID 54903001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).