N-methyl-N-(4-piperazin-1-ylbutyl)pyridin-3-amine

C14H24N4 — CID 115240359

IUPACN-methyl-N-(4-piperazin-1-ylbutyl)pyridin-3-amine
SMILESCN(CCCCN1CCNCC1)c1cccnc1
InChIInChI=1S/C14H24N4/c1-17(14-5-4-6-16-13-14)9-2-3-10-18-11-7-15-8-12-18/h4-6,13,15H,2-3,7-12H2,1H3
InChIKeyUVLTVRFEYLQPAQ-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.20
Rot. Bonds6

About N-methyl-N-(4-piperazin-1-ylbutyl)pyridin-3-amine

N-methyl-N-(4-piperazin-1-ylbutyl)pyridin-3-amine (PubChem CID 115240359) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is N-methyl-N-(4-piperazin-1-ylbutyl)pyridin-3-amine.

Molecular Properties

Compound NameN-methyl-N-(4-piperazin-1-ylbutyl)pyridin-3-amine
PubChem CID115240359
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC NameN-methyl-N-(4-piperazin-1-ylbutyl)pyridin-3-amine
SMILESCN(CCCCN1CCNCC1)c1cccnc1
InChIInChI=1S/C14H24N4/c1-17(14-5-4-6-16-13-14)9-2-3-10-18-11-7-15-8-12-18/h4-6,13,15H,2-3,7-12H2,1H3
InChIKeyUVLTVRFEYLQPAQ-UHFFFAOYSA-N
XLogP1.20
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-(3-piperazin-1-ylpropyl)pyridin-4-amine
CID 115230518
N-methyl-4-piperazin-1-yl-N-pyridin-3-ylbutanamide
CID 115178480
4-fluoro-N-methyl-N-(4-piperazin-1-ylbutyl)aniline
CID 115240347
N-methyl-N-(3-piperazin-1-ylbutyl)pyridin-3-amine
CID 115255466
1-(3-pyridin-3-ylpropyl)piperazine;trihydrochloride
CID 86694323
N-methyl-N-(3-piperazin-1-ylpropyl)pyridin-2-amine
CID 115230516
N-methyl-4-piperazin-1-yl-N-(pyridin-4-ylmethyl)butan-1-amine
CID 115240401
4-piperazin-1-yl-N-(2-pyridin-3-ylethyl)butan-1-amine
CID 115240414
N-ethyl-N-(4-piperazin-1-ylbutyl)aniline
CID 28808292
N-methyl-N-[2-(4-methylpiperazin-2-yl)ethyl]pyridin-3-amine
CID 115239388
N-methyl-N-[2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]aniline
CID 120756006
N-(3-piperazin-1-ylpropyl)pyridine-3-sulfonamide;dihydrochloride
CID 119994569

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-piperazin-1-ylbutyl)pyridin-3-amine?
The IUPAC name of N-methyl-N-(4-piperazin-1-ylbutyl)pyridin-3-amine (CID 115240359) is N-methyl-N-(4-piperazin-1-ylbutyl)pyridin-3-amine.
What is the SMILES notation for N-methyl-N-(4-piperazin-1-ylbutyl)pyridin-3-amine?
The canonical SMILES for N-methyl-N-(4-piperazin-1-ylbutyl)pyridin-3-amine is CN(CCCCN1CCNCC1)c1cccnc1.
What is the InChIKey of N-methyl-N-(4-piperazin-1-ylbutyl)pyridin-3-amine?
The InChIKey is UVLTVRFEYLQPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-17(14-5-4-6-16-13-14)9-2-3-10-18-11-7-15-8-12-18/h4-6,13,15H,2-3,7-12H2,1H3.
What are the key properties of N-methyl-N-(4-piperazin-1-ylbutyl)pyridin-3-amine?
N-methyl-N-(4-piperazin-1-ylbutyl)pyridin-3-amine has a molecular weight of 248.37 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-piperazin-1-ylbutyl)pyridin-3-amine is sourced from PubChem (CID 115240359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).