1-[1-(3-methyl-4-pyridinyl)-2-pyridin-2-ylethyl]piperazine

C17H22N4 — CID 3509612

IUPAC1-[1-(3-methyl-4-pyridinyl)-2-pyridin-2-ylethyl]piperazine
SMILESCc1cnccc1C(Cc1ccccn1)N1CCNCC1
InChIInChI=1S/C17H22N4/c1-14-13-19-7-5-16(14)17(21-10-8-18-9-11-21)12-15-4-2-3-6-20-15/h2-7,13,17-18H,8-12H2,1H3
InChIKeyNVTFOAMVDLLRHA-UHFFFAOYSA-N
MW282.39 g/mol
LogP1.97
Rot. Bonds4

About 1-[1-(3-methyl-4-pyridinyl)-2-pyridin-2-ylethyl]piperazine

1-[1-(3-methyl-4-pyridinyl)-2-pyridin-2-ylethyl]piperazine (PubChem CID 3509612) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-[1-(3-methyl-4-pyridinyl)-2-pyridin-2-ylethyl]piperazine.

Molecular Properties

Compound Name1-[1-(3-methyl-4-pyridinyl)-2-pyridin-2-ylethyl]piperazine
PubChem CID3509612
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name1-[1-(3-methyl-4-pyridinyl)-2-pyridin-2-ylethyl]piperazine
SMILESCc1cnccc1C(Cc1ccccn1)N1CCNCC1
InChIInChI=1S/C17H22N4/c1-14-13-19-7-5-16(14)17(21-10-8-18-9-11-21)12-15-4-2-3-6-20-15/h2-7,13,17-18H,8-12H2,1H3
InChIKeyNVTFOAMVDLLRHA-UHFFFAOYSA-N
XLogP1.97
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2-methoxyphenyl)-2-pyridin-2-ylethyl]-1,4-diazepane
CID 3734748
1-[1-(5-ethylthiophen-2-yl)-2-pyridin-2-ylethyl]piperazine
CID 4642854
1-[2-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]ethyl]piperazine
CID 4040392
1-[1-benzothiophen-3-yl-(3-methyl-4-pyridinyl)methyl]piperazine
CID 3621959
1-[1-(1,3-benzodioxol-5-yl)-2-pyridin-2-ylethyl]piperazine
CID 5224367
1-[(3-methyl-4-pyridinyl)-naphthalen-2-ylmethyl]piperazine
CID 3321210
1-[(1S)-2-fluoro-1-pyridin-2-ylethyl]piperazine;dihydrochloride
CID 171287156
1-[(4-bromophenyl)-(3-methyl-4-pyridinyl)methyl]piperazine
CID 3909060
1-[(1R)-1-(2-methylphenyl)propyl]piperazine
CID 92754595
N-ethyl-1-(4-methyl-3-pyridinyl)-2-pyridin-2-ylethanamine
CID 66273129
3-[1,4-diazepan-1-yl-(3-methyl-4-pyridinyl)methyl]quinoline
CID 3704590
1-[(1R)-1-(3-chloro-4-pyridinyl)butyl]piperazine;dihydrochloride
CID 171285648

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methyl-4-pyridinyl)-2-pyridin-2-ylethyl]piperazine?
The IUPAC name of 1-[1-(3-methyl-4-pyridinyl)-2-pyridin-2-ylethyl]piperazine (CID 3509612) is 1-[1-(3-methyl-4-pyridinyl)-2-pyridin-2-ylethyl]piperazine.
What is the SMILES notation for 1-[1-(3-methyl-4-pyridinyl)-2-pyridin-2-ylethyl]piperazine?
The canonical SMILES for 1-[1-(3-methyl-4-pyridinyl)-2-pyridin-2-ylethyl]piperazine is Cc1cnccc1C(Cc1ccccn1)N1CCNCC1.
What is the InChIKey of 1-[1-(3-methyl-4-pyridinyl)-2-pyridin-2-ylethyl]piperazine?
The InChIKey is NVTFOAMVDLLRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-14-13-19-7-5-16(14)17(21-10-8-18-9-11-21)12-15-4-2-3-6-20-15/h2-7,13,17-18H,8-12H2,1H3.
What are the key properties of 1-[1-(3-methyl-4-pyridinyl)-2-pyridin-2-ylethyl]piperazine?
1-[1-(3-methyl-4-pyridinyl)-2-pyridin-2-ylethyl]piperazine has a molecular weight of 282.39 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methyl-4-pyridinyl)-2-pyridin-2-ylethyl]piperazine is sourced from PubChem (CID 3509612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).