N-[[4-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine

C15H26N4 — CID 81248359

IUPACN-[[4-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine
SMILESCCN1CCN(c2ccncc2CNC(C)C)CC1
InChIInChI=1S/C15H26N4/c1-4-18-7-9-19(10-8-18)15-5-6-16-11-14(15)12-17-13(2)3/h5-6,11,13,17H,4,7-10,12H2,1-3H3
InChIKeyVJDYDSAQWCROFW-UHFFFAOYSA-N
MW262.40 g/mol
LogP1.72
Rot. Bonds5

About N-[[4-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine

N-[[4-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine (PubChem CID 81248359) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[[4-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine
PubChem CID81248359
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC NameN-[[4-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine
SMILESCCN1CCN(c2ccncc2CNC(C)C)CC1
InChIInChI=1S/C15H26N4/c1-4-18-7-9-19(10-8-18)15-5-6-16-11-14(15)12-17-13(2)3/h5-6,11,13,17H,4,7-10,12H2,1-3H3
InChIKeyVJDYDSAQWCROFW-UHFFFAOYSA-N
XLogP1.72
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[4-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-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

N-[[4-(4-ethyl-3-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 81247566
N-[[4-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 81249841
N-[[4-(3-methylpyrrolidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 81246723
N-[[4-[4-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methyl]propan-2-amine
CID 81247579
N,N-diethyl-1-[3-[(propan-2-ylamino)methyl]-4-pyridinyl]pyrrolidin-3-amine
CID 81253767
N-[[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methyl]propan-2-amine
CID 81247460
N-[[4-(3-ethoxypiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 81247761
N-[(4-pyrrolidin-1-yl-3-pyridinyl)methyl]ethanamine
CID 81248447
N-[[3-(4-methyl-1,4-diazepan-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 105072808
N-[[4-(2,3-dihydroindol-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 81248946
N-[[2-(4-ethylpiperazin-1-yl)-3-fluoro-4-pyridinyl]methyl]propan-2-amine
CID 105388897
2-methyl-N-[[4-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 81249938

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine (CID 81248359) is N-[[4-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine is CCN1CCN(c2ccncc2CNC(C)C)CC1.
What is the InChIKey of N-[[4-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine?
The InChIKey is VJDYDSAQWCROFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-4-18-7-9-19(10-8-18)15-5-6-16-11-14(15)12-17-13(2)3/h5-6,11,13,17H,4,7-10,12H2,1-3H3.
What are the key properties of N-[[4-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine?
N-[[4-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine has a molecular weight of 262.40 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 81248359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).