2,5-dimethyl-1-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperazine

C16H26N4 — CID 120906110

IUPAC2,5-dimethyl-1-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperazine
SMILESCC1CN(Cc2ccc(N3CCCC3)nc2)C(C)CN1
InChIInChI=1S/C16H26N4/c1-13-11-20(14(2)9-17-13)12-15-5-6-16(18-10-15)19-7-3-4-8-19/h5-6,10,13-14,17H,3-4,7-9,11-12H2,1-2H3
InChIKeyQMSSYWCIOHAJMO-UHFFFAOYSA-N
MW274.41 g/mol
LogP1.86
Rot. Bonds3

About 2,5-dimethyl-1-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperazine

2,5-dimethyl-1-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperazine (PubChem CID 120906110) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is 2,5-dimethyl-1-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperazine.

Molecular Properties

Compound Name2,5-dimethyl-1-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperazine
PubChem CID120906110
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name2,5-dimethyl-1-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperazine
SMILESCC1CN(Cc2ccc(N3CCCC3)nc2)C(C)CN1
InChIInChI=1S/C16H26N4/c1-13-11-20(14(2)9-17-13)12-15-5-6-16(18-10-15)19-7-3-4-8-19/h5-6,10,13-14,17H,3-4,7-9,11-12H2,1-2H3
InChIKeyQMSSYWCIOHAJMO-UHFFFAOYSA-N
XLogP1.86
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2,5-dimethylpiperazin-1-yl)methyl]-N-methyl-N-propan-2-ylpyridin-2-amine;hydrochloride
CID 120906404
(2S,5R)-1-benzyl-2,5-dimethylpiperazine
CID 23402345
(2S,5R)-1-[(3,4-difluorophenyl)methyl]-2,5-dimethylpiperazine;hydrochloride
CID 162420385
2-[4-[(2,5-dimethylpiperazin-1-yl)methyl]phenoxy]pyrazine
CID 120906234
1-[(3,5-dimethylphenyl)methyl]-2,5-dimethylpiperazine
CID 64844873
2,5-dimethyl-1-[(5-methyl-2-pyridinyl)methyl]piperazine;hydrochloride
CID 120906169
(3S)-1,3-dimethyl-5-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-3,4-dihydro-2H-1,5-benzodiazepine
CID 124854518
1-[(3-fluoro-4-methylphenyl)methyl]-2,5-dimethylpiperazine;hydrochloride
CID 120906434
2,5-dimethyl-1-[(3-pyridin-4-ylphenyl)methyl]piperazine
CID 120906410
2-methyl-5-(2-methylpropyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine
CID 64939823
5-(isocyanomethyl)-2-pyrrolidin-1-ylpyridine
CID 83483400
5-(2-methylpropyl)-2-pyrrolidin-1-ylpyridine
CID 59000961

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperazine?
The IUPAC name of 2,5-dimethyl-1-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperazine (CID 120906110) is 2,5-dimethyl-1-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperazine.
What is the SMILES notation for 2,5-dimethyl-1-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperazine?
The canonical SMILES for 2,5-dimethyl-1-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperazine is CC1CN(Cc2ccc(N3CCCC3)nc2)C(C)CN1.
What is the InChIKey of 2,5-dimethyl-1-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperazine?
The InChIKey is QMSSYWCIOHAJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-13-11-20(14(2)9-17-13)12-15-5-6-16(18-10-15)19-7-3-4-8-19/h5-6,10,13-14,17H,3-4,7-9,11-12H2,1-2H3.
What are the key properties of 2,5-dimethyl-1-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperazine?
2,5-dimethyl-1-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperazine has a molecular weight of 274.41 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperazine is sourced from PubChem (CID 120906110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).