1-[(4-methyl-3-pyridinyl)methyl]piperazine

C11H17N3 — CID 79002283

IUPAC1-[(4-methyl-3-pyridinyl)methyl]piperazine
SMILESCc1ccncc1CN1CCNCC1
InChIInChI=1S/C11H17N3/c1-10-2-3-13-8-11(10)9-14-6-4-12-5-7-14/h2-3,8,12H,4-7,9H2,1H3
InChIKeyTXVRXKXEVXBZSC-UHFFFAOYSA-N
MW191.28 g/mol
LogP0.80
Rot. Bonds2

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

1-[(4-methyl-3-pyridinyl)methyl]piperazine (PubChem CID 79002283) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 1-[(4-methyl-3-pyridinyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(4-methyl-3-pyridinyl)methyl]piperazine
PubChem CID79002283
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name1-[(4-methyl-3-pyridinyl)methyl]piperazine
SMILESCc1ccncc1CN1CCNCC1
InChIInChI=1S/C11H17N3/c1-10-2-3-13-8-11(10)9-14-6-4-12-5-7-14/h2-3,8,12H,4-7,9H2,1H3
InChIKeyTXVRXKXEVXBZSC-UHFFFAOYSA-N
XLogP0.80
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-1-[(4-methyl-3-pyridinyl)methyl]-1,4-diazepane
CID 114957425
1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]piperazine
CID 82622598
4-(piperazin-1-ylmethyl)-2,6-naphthyridine
CID 84792284
[1-[(4-methyl-3-pyridinyl)methyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride
CID 120836090
1-[(2,4-difluorophenyl)methyl]-4-[(4-methyl-3-pyridinyl)methyl]piperazine
CID 171334559
1-[(2-methyl-4-pyridin-3-ylphenyl)methyl]piperazine;piperazine
CID 174836190
1-[(5-fluoro-2-methylphenyl)methyl]piperazine
CID 22975139
6-[(4-methyl-3-pyridinyl)methyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678287
ethane;1-[(5-fluoro-2-methylphenyl)methyl]piperazine
CID 142195714
3-methyl-1-[(3-methyl-4-pyridinyl)methyl]piperazine
CID 114702066
4-(piperazin-1-ylmethyl)isoquinoline
CID 84791624
1-[1-[(4-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]ethanamine;hydrochloride
CID 120843370

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methyl-3-pyridinyl)methyl]piperazine?
The IUPAC name of 1-[(4-methyl-3-pyridinyl)methyl]piperazine (CID 79002283) is 1-[(4-methyl-3-pyridinyl)methyl]piperazine.
What is the SMILES notation for 1-[(4-methyl-3-pyridinyl)methyl]piperazine?
The canonical SMILES for 1-[(4-methyl-3-pyridinyl)methyl]piperazine is Cc1ccncc1CN1CCNCC1.
What is the InChIKey of 1-[(4-methyl-3-pyridinyl)methyl]piperazine?
The InChIKey is TXVRXKXEVXBZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-10-2-3-13-8-11(10)9-14-6-4-12-5-7-14/h2-3,8,12H,4-7,9H2,1H3.
What are the key properties of 1-[(4-methyl-3-pyridinyl)methyl]piperazine?
1-[(4-methyl-3-pyridinyl)methyl]piperazine has a molecular weight of 191.28 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methyl-3-pyridinyl)methyl]piperazine is sourced from PubChem (CID 79002283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).