[3-[2-(5-chloro-6-piperazin-1-yl-3-pyridinyl)prop-2-enyl]phenyl]methanamine;hydrochloride

C19H24Cl2N4 — CID 166485485

IUPAC[3-[2-(5-chloro-6-piperazin-1-yl-3-pyridinyl)prop-2-enyl]phenyl]methanamine;hydrochloride
SMILESC=C(Cc1cccc(CN)c1)c1cnc(N2CCNCC2)c(Cl)c1.Cl
InChIInChI=1S/C19H23ClN4.ClH/c1-14(9-15-3-2-4-16(10-15)12-21)17-11-18(20)19(23-13-17)24-7-5-22-6-8-24;/h2-4,10-11,13,22H,1,5-9,12,21H2;1H
InChIKeyBUTLYYGVTGACKG-UHFFFAOYSA-N
MW379.34 g/mol
LogP3.28
Rot. Bonds5

About [3-[2-(5-chloro-6-piperazin-1-yl-3-pyridinyl)prop-2-enyl]phenyl]methanamine;hydrochloride

[3-[2-(5-chloro-6-piperazin-1-yl-3-pyridinyl)prop-2-enyl]phenyl]methanamine;hydrochloride (PubChem CID 166485485) has the molecular formula C19H24Cl2N4 and a molecular weight of 379.34 g/mol. Its IUPAC name is [3-[2-(5-chloro-6-piperazin-1-yl-3-pyridinyl)prop-2-enyl]phenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[3-[2-(5-chloro-6-piperazin-1-yl-3-pyridinyl)prop-2-enyl]phenyl]methanamine;hydrochloride
PubChem CID166485485
Molecular FormulaC19H24Cl2N4
Molecular Weight379.34 g/mol
Exact Mass378.14
IUPAC Name[3-[2-(5-chloro-6-piperazin-1-yl-3-pyridinyl)prop-2-enyl]phenyl]methanamine;hydrochloride
SMILESC=C(Cc1cccc(CN)c1)c1cnc(N2CCNCC2)c(Cl)c1.Cl
InChIInChI=1S/C19H23ClN4.ClH/c1-14(9-15-3-2-4-16(10-15)12-21)17-11-18(20)19(23-13-17)24-7-5-22-6-8-24;/h2-4,10-11,13,22H,1,5-9,12,21H2;1H
InChIKeyBUTLYYGVTGACKG-UHFFFAOYSA-N
XLogP3.28
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.34
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [3-[2-(5-chloro-6-piperazin-1-yl-3-pyridinyl)prop-2-enyl]phenyl]methanamine;hydrochloride with MolForge

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Related Compounds

(4-chlorophenyl)methyl 5-chloro-6-piperazin-1-ylpyridine-3-carboxylate
CID 166485246
5-chloro-6-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]pyridine-3-carboxamide
CID 133324791
(3-piperazin-1-ylphenyl)methanamine
CID 83775094
N-(5-aminopentan-2-ylidene)-5-chloro-6-piperazin-1-ylpyridine-3-carboximidamide;ethene;hydrochloride
CID 166485567
4-(5-chloro-6-piperazin-1-yl-3-pyridinyl)butan-1-ol
CID 123879386
[5-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methanamine
CID 62286351
[3-(3-chloro-2-piperazin-1-ylquinolin-6-yl)-2-methylphenyl]methanamine;dihydrochloride
CID 166485443
1-[3-chloro-5-(2-methoxyethoxy)-2-pyridinyl]piperazine
CID 155272505
2-[4-[2-(5-chloro-6-piperazin-1-yl-3-pyridinyl)ethynyl]phenyl]-N-methylethanamine;ethene
CID 166485598
5-chloro-6-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]pyridine-3-carboxamide
CID 133464880
[2-(3-chloro-2-piperazin-1-ylquinolin-6-yl)phenyl]methanamine
CID 166485251
5-chloro-6-[(3R)-3-methylpiperazin-1-yl]pyridine-3-carboxamide
CID 141318308

Frequently Asked Questions

What is the IUPAC name of [3-[2-(5-chloro-6-piperazin-1-yl-3-pyridinyl)prop-2-enyl]phenyl]methanamine;hydrochloride?
The IUPAC name of [3-[2-(5-chloro-6-piperazin-1-yl-3-pyridinyl)prop-2-enyl]phenyl]methanamine;hydrochloride (CID 166485485) is [3-[2-(5-chloro-6-piperazin-1-yl-3-pyridinyl)prop-2-enyl]phenyl]methanamine;hydrochloride.
What is the SMILES notation for [3-[2-(5-chloro-6-piperazin-1-yl-3-pyridinyl)prop-2-enyl]phenyl]methanamine;hydrochloride?
The canonical SMILES for [3-[2-(5-chloro-6-piperazin-1-yl-3-pyridinyl)prop-2-enyl]phenyl]methanamine;hydrochloride is C=C(Cc1cccc(CN)c1)c1cnc(N2CCNCC2)c(Cl)c1.Cl.
What is the InChIKey of [3-[2-(5-chloro-6-piperazin-1-yl-3-pyridinyl)prop-2-enyl]phenyl]methanamine;hydrochloride?
The InChIKey is BUTLYYGVTGACKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4.ClH/c1-14(9-15-3-2-4-16(10-15)12-21)17-11-18(20)19(23-13-17)24-7-5-22-6-8-24;/h2-4,10-11,13,22H,1,5-9,12,21H2;1H.
What are the key properties of [3-[2-(5-chloro-6-piperazin-1-yl-3-pyridinyl)prop-2-enyl]phenyl]methanamine;hydrochloride?
[3-[2-(5-chloro-6-piperazin-1-yl-3-pyridinyl)prop-2-enyl]phenyl]methanamine;hydrochloride has a molecular weight of 379.34 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(5-chloro-6-piperazin-1-yl-3-pyridinyl)prop-2-enyl]phenyl]methanamine;hydrochloride is sourced from PubChem (CID 166485485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).