N-methyl-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]prop-2-en-1-amine

C14H22N4 — CID 103069063

IUPACN-methyl-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]prop-2-en-1-amine
SMILESC=C(CNC)CN1CCN(c2ccccn2)CC1
InChIInChI=1S/C14H22N4/c1-13(11-15-2)12-17-7-9-18(10-8-17)14-5-3-4-6-16-14/h3-6,15H,1,7-12H2,2H3
InChIKeyKMIKHHMVGJWQAT-UHFFFAOYSA-N
MW246.36 g/mol
LogP0.98
Rot. Bonds5

About N-methyl-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]prop-2-en-1-amine

N-methyl-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]prop-2-en-1-amine (PubChem CID 103069063) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is N-methyl-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-methyl-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]prop-2-en-1-amine
PubChem CID103069063
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC NameN-methyl-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]prop-2-en-1-amine
SMILESC=C(CNC)CN1CCN(c2ccccn2)CC1
InChIInChI=1S/C14H22N4/c1-13(11-15-2)12-17-7-9-18(10-8-17)14-5-3-4-6-16-14/h3-6,15H,1,7-12H2,2H3
InChIKeyKMIKHHMVGJWQAT-UHFFFAOYSA-N
XLogP0.98
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-methyl-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]prop-2-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(chloromethyl)prop-2-enyl]-4-pyridin-2-ylpiperazine
CID 103067602
methyl 2-(4-pyridin-2-ylpiperazin-1-yl)acetate
CID 6469766
2-(methylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120703285
1,2-bis(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 2813993
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 119651248
N-(2-hydroxyethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 43509569
1-piperidin-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 78782292
2-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol
CID 115872740
N-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)propan-1-amine
CID 62423144
N,3,3-trimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)butan-2-amine
CID 66452314
N-cycloheptyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 4884816
1-(2-bromoethyl)-4-pyridin-2-ylpiperazine
CID 61288555

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]prop-2-en-1-amine?
The IUPAC name of N-methyl-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]prop-2-en-1-amine (CID 103069063) is N-methyl-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]prop-2-en-1-amine.
What is the SMILES notation for N-methyl-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]prop-2-en-1-amine?
The canonical SMILES for N-methyl-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]prop-2-en-1-amine is C=C(CNC)CN1CCN(c2ccccn2)CC1.
What is the InChIKey of N-methyl-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]prop-2-en-1-amine?
The InChIKey is KMIKHHMVGJWQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-13(11-15-2)12-17-7-9-18(10-8-17)14-5-3-4-6-16-14/h3-6,15H,1,7-12H2,2H3.
What are the key properties of N-methyl-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]prop-2-en-1-amine?
N-methyl-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]prop-2-en-1-amine has a molecular weight of 246.36 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]prop-2-en-1-amine is sourced from PubChem (CID 103069063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).