N-(piperidin-3-ylmethyl)-N'-(1,2,3,6-tetrahydropyridin-3-ylmethyl)butane-1,4-diamine

C16H32N4 — CID 5232197

IUPACN-(piperidin-3-ylmethyl)-N'-(1,2,3,6-tetrahydropyridin-3-ylmethyl)butane-1,4-diamine
SMILESC1=CC(CNCCCCNCC2CCCNC2)CNC1
InChIInChI=1S/C16H32N4/c1(7-17-11-15-5-3-9-19-13-15)2-8-18-12-16-6-4-10-20-14-16/h3,5,15-20H,1-2,4,6-14H2
InChIKeySGRLWGOJACVVEL-UHFFFAOYSA-N
MW280.46 g/mol
LogP0.72
Rot. Bonds9

About N-(piperidin-3-ylmethyl)-N'-(1,2,3,6-tetrahydropyridin-3-ylmethyl)butane-1,4-diamine

N-(piperidin-3-ylmethyl)-N'-(1,2,3,6-tetrahydropyridin-3-ylmethyl)butane-1,4-diamine (PubChem CID 5232197) has the molecular formula C16H32N4 and a molecular weight of 280.46 g/mol. Its IUPAC name is N-(piperidin-3-ylmethyl)-N'-(1,2,3,6-tetrahydropyridin-3-ylmethyl)butane-1,4-diamine.

Molecular Properties

Compound NameN-(piperidin-3-ylmethyl)-N'-(1,2,3,6-tetrahydropyridin-3-ylmethyl)butane-1,4-diamine
PubChem CID5232197
Molecular FormulaC16H32N4
Molecular Weight280.46 g/mol
Exact Mass280.26
IUPAC NameN-(piperidin-3-ylmethyl)-N'-(1,2,3,6-tetrahydropyridin-3-ylmethyl)butane-1,4-diamine
SMILESC1=CC(CNCCCCNCC2CCCNC2)CNC1
InChIInChI=1S/C16H32N4/c1(7-17-11-15-5-3-9-19-13-15)2-8-18-12-16-6-4-10-20-14-16/h3,5,15-20H,1-2,4,6-14H2
InChIKeySGRLWGOJACVVEL-UHFFFAOYSA-N
XLogP0.72
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 50.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(piperidin-3-ylmethylamino)propan-1-ol
CID 80553574
7-methyl-N-(piperidin-3-ylmethyl)octan-1-amine
CID 80553700
4-imidazol-1-yl-N-(piperidin-3-ylmethyl)butan-1-amine
CID 80555259
N-[[(3R)-piperidin-3-yl]methyl]ethanamine
CID 86317945
2-imidazol-1-yl-N-(piperidin-3-ylmethyl)ethanamine
CID 80555335
2-(3,5-difluorophenyl)-N-(piperidin-3-ylmethyl)ethanamine
CID 80555516
2-(piperidin-3-ylmethylamino)ethyl carbamate
CID 83211184
N'-benzyl-N'-methyl-N-(piperidin-3-ylmethyl)propane-1,3-diamine
CID 80553136
2-(3-methylphenyl)-N-(piperidin-3-ylmethyl)ethanamine
CID 80555044
5-methyl-N-(pyrrolidin-3-ylmethyl)hexan-1-amine
CID 115325962
2-naphthalen-1-yl-N-(piperidin-3-ylmethyl)ethanamine
CID 115209720
N-[(3-chlorophenyl)methyl]-1-[(3S)-piperidin-3-yl]methanamine
CID 95731896

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-3-ylmethyl)-N'-(1,2,3,6-tetrahydropyridin-3-ylmethyl)butane-1,4-diamine?
The IUPAC name of N-(piperidin-3-ylmethyl)-N'-(1,2,3,6-tetrahydropyridin-3-ylmethyl)butane-1,4-diamine (CID 5232197) is N-(piperidin-3-ylmethyl)-N'-(1,2,3,6-tetrahydropyridin-3-ylmethyl)butane-1,4-diamine.
What is the SMILES notation for N-(piperidin-3-ylmethyl)-N'-(1,2,3,6-tetrahydropyridin-3-ylmethyl)butane-1,4-diamine?
The canonical SMILES for N-(piperidin-3-ylmethyl)-N'-(1,2,3,6-tetrahydropyridin-3-ylmethyl)butane-1,4-diamine is C1=CC(CNCCCCNCC2CCCNC2)CNC1.
What is the InChIKey of N-(piperidin-3-ylmethyl)-N'-(1,2,3,6-tetrahydropyridin-3-ylmethyl)butane-1,4-diamine?
The InChIKey is SGRLWGOJACVVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4/c1(7-17-11-15-5-3-9-19-13-15)2-8-18-12-16-6-4-10-20-14-16/h3,5,15-20H,1-2,4,6-14H2.
What are the key properties of N-(piperidin-3-ylmethyl)-N'-(1,2,3,6-tetrahydropyridin-3-ylmethyl)butane-1,4-diamine?
N-(piperidin-3-ylmethyl)-N'-(1,2,3,6-tetrahydropyridin-3-ylmethyl)butane-1,4-diamine has a molecular weight of 280.46 g/mol, XLogP of 0.72, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-3-ylmethyl)-N'-(1,2,3,6-tetrahydropyridin-3-ylmethyl)butane-1,4-diamine is sourced from PubChem (CID 5232197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).