N-methyl-4-piperazin-1-yl-N-(pyridin-4-ylmethyl)butan-1-amine

C15H26N4 — CID 115240401

IUPACN-methyl-4-piperazin-1-yl-N-(pyridin-4-ylmethyl)butan-1-amine
SMILESCN(CCCCN1CCNCC1)Cc1ccncc1
InChIInChI=1S/C15H26N4/c1-18(14-15-4-6-16-7-5-15)10-2-3-11-19-12-8-17-9-13-19/h4-7,17H,2-3,8-14H2,1H3
InChIKeyCAQUZZIBMIOFAW-UHFFFAOYSA-N
MW262.40 g/mol
LogP1.20
Rot. Bonds7

About N-methyl-4-piperazin-1-yl-N-(pyridin-4-ylmethyl)butan-1-amine

N-methyl-4-piperazin-1-yl-N-(pyridin-4-ylmethyl)butan-1-amine (PubChem CID 115240401) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is N-methyl-4-piperazin-1-yl-N-(pyridin-4-ylmethyl)butan-1-amine.

Molecular Properties

Compound NameN-methyl-4-piperazin-1-yl-N-(pyridin-4-ylmethyl)butan-1-amine
PubChem CID115240401
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC NameN-methyl-4-piperazin-1-yl-N-(pyridin-4-ylmethyl)butan-1-amine
SMILESCN(CCCCN1CCNCC1)Cc1ccncc1
InChIInChI=1S/C15H26N4/c1-18(14-15-4-6-16-7-5-15)10-2-3-11-19-12-8-17-9-13-19/h4-7,17H,2-3,8-14H2,1H3
InChIKeyCAQUZZIBMIOFAW-UHFFFAOYSA-N
XLogP1.20
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
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-[(4-bromophenyl)methyl]-N-methyl-3-piperazin-1-ylpropan-1-amine
CID 115230571
N-methyl-N-(2-piperazin-1-ylethyl)-2-pyridin-4-ylethanamine
CID 54943962
N-methyl-N-(3-piperazin-1-ylpropyl)pyridin-4-amine
CID 115230518
2-[methyl(pyridin-4-ylmethyl)amino]-1-piperazin-1-ylethanone
CID 61018269
N-methyl-N-(2-piperazin-1-ylethyl)pyridine-4-carboxamide
CID 63265506
N-methyl-2-piperazin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 63267585
N-methyl-2-(1-methylpiperazin-2-yl)-N-(pyridin-4-ylmethyl)ethanamine
CID 115239656
1-(5-pyridin-4-ylpentyl)-1,4-diazepane
CID 18958792
N-methyl-N-(4-piperazin-1-ylbutyl)pyridin-3-amine
CID 115240359
4-fluoro-N-methyl-N-(4-piperazin-1-ylbutyl)aniline
CID 115240347
N-ethyl-4-piperidin-1-yl-N-(pyridin-4-ylmethyl)butan-1-amine
CID 54295861
9-[methyl(pyridin-4-ylmethyl)amino]nonane-1-thiol
CID 105344064

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-piperazin-1-yl-N-(pyridin-4-ylmethyl)butan-1-amine?
The IUPAC name of N-methyl-4-piperazin-1-yl-N-(pyridin-4-ylmethyl)butan-1-amine (CID 115240401) is N-methyl-4-piperazin-1-yl-N-(pyridin-4-ylmethyl)butan-1-amine.
What is the SMILES notation for N-methyl-4-piperazin-1-yl-N-(pyridin-4-ylmethyl)butan-1-amine?
The canonical SMILES for N-methyl-4-piperazin-1-yl-N-(pyridin-4-ylmethyl)butan-1-amine is CN(CCCCN1CCNCC1)Cc1ccncc1.
What is the InChIKey of N-methyl-4-piperazin-1-yl-N-(pyridin-4-ylmethyl)butan-1-amine?
The InChIKey is CAQUZZIBMIOFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-18(14-15-4-6-16-7-5-15)10-2-3-11-19-12-8-17-9-13-19/h4-7,17H,2-3,8-14H2,1H3.
What are the key properties of N-methyl-4-piperazin-1-yl-N-(pyridin-4-ylmethyl)butan-1-amine?
N-methyl-4-piperazin-1-yl-N-(pyridin-4-ylmethyl)butan-1-amine has a molecular weight of 262.40 g/mol, XLogP of 1.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-piperazin-1-yl-N-(pyridin-4-ylmethyl)butan-1-amine is sourced from PubChem (CID 115240401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).