N'-benzyl-N'-methyl-N-(piperidin-3-ylmethyl)propane-1,3-diamine

C17H29N3 — CID 80553136

IUPACN'-benzyl-N'-methyl-N-(piperidin-3-ylmethyl)propane-1,3-diamine
SMILESCN(CCCNCC1CCCNC1)Cc1ccccc1
InChIInChI=1S/C17H29N3/c1-20(15-16-7-3-2-4-8-16)12-6-11-19-14-17-9-5-10-18-13-17/h2-4,7-8,17-19H,5-6,9-15H2,1H3
InChIKeyALSLDFOVKMTDAO-UHFFFAOYSA-N
MW275.44 g/mol
LogP2.10
Rot. Bonds8

About N'-benzyl-N'-methyl-N-(piperidin-3-ylmethyl)propane-1,3-diamine

N'-benzyl-N'-methyl-N-(piperidin-3-ylmethyl)propane-1,3-diamine (PubChem CID 80553136) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is N'-benzyl-N'-methyl-N-(piperidin-3-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-benzyl-N'-methyl-N-(piperidin-3-ylmethyl)propane-1,3-diamine
PubChem CID80553136
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN'-benzyl-N'-methyl-N-(piperidin-3-ylmethyl)propane-1,3-diamine
SMILESCN(CCCNCC1CCCNC1)Cc1ccccc1
InChIInChI=1S/C17H29N3/c1-20(15-16-7-3-2-4-8-16)12-6-11-19-14-17-9-5-10-18-13-17/h2-4,7-8,17-19H,5-6,9-15H2,1H3
InChIKeyALSLDFOVKMTDAO-UHFFFAOYSA-N
XLogP2.10
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 52.10
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-(cyclobutylmethyl)-N'-methylpropane-1,3-diamine
CID 65459626
N'-benzyl-N'-methyl-N-piperidin-4-ylpropane-1,3-diamine
CID 54903001
N-[3-(N-methylanilino)propyl]-2-piperidin-3-ylacetamide
CID 62691049
N-methyl-N-(2-phenylethyl)-2-piperidin-3-ylacetamide
CID 62674551
N'-benzyl-N'-methyl-N-[(1-methylpiperidin-2-yl)methyl]propane-1,3-diamine
CID 62654308
3-(piperidin-3-ylmethylamino)propan-1-ol
CID 80553574
N-methyl-2-phenyl-N-[[4-(piperidin-3-ylmethoxy)phenyl]methyl]ethanamine
CID 118759688
benzyl-[[(3R)-piperidin-3-yl]methyl]carbamic acid;hydrochloride
CID 67098710
2-phenyl-N-[[(3R)-piperidin-3-yl]methyl]acetamide;hydrochloride
CID 166436266
N-benzyl-N-methyl-1-pyrrolidin-3-ylmethanamine
CID 56831736
2-(3-methylphenyl)-N-(piperidin-3-ylmethyl)ethanamine
CID 80555044
2-[3-[benzyl(methyl)amino]propylamino]-N-cyclopropylacetamide
CID 28577554

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-methyl-N-(piperidin-3-ylmethyl)propane-1,3-diamine?
The IUPAC name of N'-benzyl-N'-methyl-N-(piperidin-3-ylmethyl)propane-1,3-diamine (CID 80553136) is N'-benzyl-N'-methyl-N-(piperidin-3-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N'-benzyl-N'-methyl-N-(piperidin-3-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N'-benzyl-N'-methyl-N-(piperidin-3-ylmethyl)propane-1,3-diamine is CN(CCCNCC1CCCNC1)Cc1ccccc1.
What is the InChIKey of N'-benzyl-N'-methyl-N-(piperidin-3-ylmethyl)propane-1,3-diamine?
The InChIKey is ALSLDFOVKMTDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-20(15-16-7-3-2-4-8-16)12-6-11-19-14-17-9-5-10-18-13-17/h2-4,7-8,17-19H,5-6,9-15H2,1H3.
What are the key properties of N'-benzyl-N'-methyl-N-(piperidin-3-ylmethyl)propane-1,3-diamine?
N'-benzyl-N'-methyl-N-(piperidin-3-ylmethyl)propane-1,3-diamine has a molecular weight of 275.44 g/mol, XLogP of 2.10, 8 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-3-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 80553136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).