1-methyl-4-[5-(1H-pyrrol-2-yl)-2-pyridinyl]piperazine

C14H18N4 — CID 141163606

IUPAC1-methyl-4-[5-(1H-pyrrol-2-yl)-2-pyridinyl]piperazine
SMILESCN1CCN(c2ccc(-c3ccc[nH]3)cn2)CC1
InChIInChI=1S/C14H18N4/c1-17-7-9-18(10-8-17)14-5-4-12(11-16-14)13-3-2-6-15-13/h2-6,11,15H,7-10H2,1H3
InChIKeyCHKVGUKECSXAQO-UHFFFAOYSA-N
MW242.33 g/mol
LogP1.83
Rot. Bonds2

About 1-methyl-4-[5-(1H-pyrrol-2-yl)-2-pyridinyl]piperazine

1-methyl-4-[5-(1H-pyrrol-2-yl)-2-pyridinyl]piperazine (PubChem CID 141163606) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 1-methyl-4-[5-(1H-pyrrol-2-yl)-2-pyridinyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[5-(1H-pyrrol-2-yl)-2-pyridinyl]piperazine
PubChem CID141163606
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name1-methyl-4-[5-(1H-pyrrol-2-yl)-2-pyridinyl]piperazine
SMILESCN1CCN(c2ccc(-c3ccc[nH]3)cn2)CC1
InChIInChI=1S/C14H18N4/c1-17-7-9-18(10-8-17)14-5-4-12(11-16-14)13-3-2-6-15-13/h2-6,11,15H,7-10H2,1H3
InChIKeyCHKVGUKECSXAQO-UHFFFAOYSA-N
XLogP1.83
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-2-pyridinyl]-4-methylpiperazine
CID 18671631
1-[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]ethanone
CID 22893150
1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine
CID 58798727
4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-2-amine
CID 141132498
1-[4-(4-methylpiperazin-1-yl)phenyl]-3-[4-(1H-pyrrol-2-yl)phenyl]urea
CID 141420973
1-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 829355
1-methyl-4-[[4-(6-pyrrolidin-1-yl-3-pyridinyl)phenyl]methyl]piperazine
CID 146252821
1-(5-bromo-2-pyridinyl)-4-methyl-1,4-diazepane
CID 59292213
1-[5-(chloromethyl)-2-pyridinyl]-4-methylpiperazine;hydrochloride
CID 133058572
N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-phenyl-1,4-dihydropyrimidin-2-amine
CID 173147553
methanamine;1-methyl-4-pyridin-2-ylpiperazine
CID 145148686
(NZ)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methylidene]hydroxylamine
CID 124502943

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[5-(1H-pyrrol-2-yl)-2-pyridinyl]piperazine?
The IUPAC name of 1-methyl-4-[5-(1H-pyrrol-2-yl)-2-pyridinyl]piperazine (CID 141163606) is 1-methyl-4-[5-(1H-pyrrol-2-yl)-2-pyridinyl]piperazine.
What is the SMILES notation for 1-methyl-4-[5-(1H-pyrrol-2-yl)-2-pyridinyl]piperazine?
The canonical SMILES for 1-methyl-4-[5-(1H-pyrrol-2-yl)-2-pyridinyl]piperazine is CN1CCN(c2ccc(-c3ccc[nH]3)cn2)CC1.
What is the InChIKey of 1-methyl-4-[5-(1H-pyrrol-2-yl)-2-pyridinyl]piperazine?
The InChIKey is CHKVGUKECSXAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-17-7-9-18(10-8-17)14-5-4-12(11-16-14)13-3-2-6-15-13/h2-6,11,15H,7-10H2,1H3.
What are the key properties of 1-methyl-4-[5-(1H-pyrrol-2-yl)-2-pyridinyl]piperazine?
1-methyl-4-[5-(1H-pyrrol-2-yl)-2-pyridinyl]piperazine has a molecular weight of 242.33 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[5-(1H-pyrrol-2-yl)-2-pyridinyl]piperazine is sourced from PubChem (CID 141163606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).