1-[1-[(6-methyl-3-pyridinyl)methyl]azetidin-3-yl]piperazine

C14H22N4 — CID 104822700

IUPAC1-[1-[(6-methyl-3-pyridinyl)methyl]azetidin-3-yl]piperazine
SMILESCc1ccc(CN2CC(N3CCNCC3)C2)cn1
InChIInChI=1S/C14H22N4/c1-12-2-3-13(8-16-12)9-17-10-14(11-17)18-6-4-15-5-7-18/h2-3,8,14-15H,4-7,9-11H2,1H3
InChIKeyRFGPMPSMUBQHLV-UHFFFAOYSA-N
MW246.36 g/mol
LogP0.48
Rot. Bonds3

About 1-[1-[(6-methyl-3-pyridinyl)methyl]azetidin-3-yl]piperazine

1-[1-[(6-methyl-3-pyridinyl)methyl]azetidin-3-yl]piperazine (PubChem CID 104822700) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 1-[1-[(6-methyl-3-pyridinyl)methyl]azetidin-3-yl]piperazine.

Molecular Properties

Compound Name1-[1-[(6-methyl-3-pyridinyl)methyl]azetidin-3-yl]piperazine
PubChem CID104822700
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name1-[1-[(6-methyl-3-pyridinyl)methyl]azetidin-3-yl]piperazine
SMILESCc1ccc(CN2CC(N3CCNCC3)C2)cn1
InChIInChI=1S/C14H22N4/c1-12-2-3-13(8-16-12)9-17-10-14(11-17)18-6-4-15-5-7-18/h2-3,8,14-15H,4-7,9-11H2,1H3
InChIKeyRFGPMPSMUBQHLV-UHFFFAOYSA-N
XLogP0.48
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(3-piperazin-1-ylazetidin-1-yl)methyl]phenyl]acetamide
CID 66203384
1-[(6-methyl-3-pyridinyl)methyl]-3-propan-2-ylpiperazine
CID 64952393
1-[(6-methyl-3-pyridinyl)methyl]azetidine-3-carboxylic acid
CID 104823904
N,N-dimethyl-5-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]pyrimidin-2-amine
CID 120968118
(4aS,7aS)-6-[(6-methyl-3-pyridinyl)methyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 113451676
2-[4-[(6-methyl-3-pyridinyl)methyl]piperazin-1-yl]ethanamine
CID 134406832
1-[1-[(3-chloro-4-fluorophenyl)methyl]azetidin-3-yl]piperazine
CID 81154667
1-[1-[(3,4,5-trifluorophenyl)methyl]azetidin-3-yl]piperazine
CID 66202797
1-[1-[(2,4,6-trimethylphenyl)methyl]azetidin-3-yl]piperazine
CID 66201053
3-benzyl-1-[(6-methyl-3-pyridinyl)methyl]piperazine
CID 64953194
5-ethyl-1-[(6-methyl-3-pyridinyl)methyl]-1,4-diazepane
CID 62993018
2-methyl-5-[[(3S)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methyl]pyridine
CID 125015783

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(6-methyl-3-pyridinyl)methyl]azetidin-3-yl]piperazine?
The IUPAC name of 1-[1-[(6-methyl-3-pyridinyl)methyl]azetidin-3-yl]piperazine (CID 104822700) is 1-[1-[(6-methyl-3-pyridinyl)methyl]azetidin-3-yl]piperazine.
What is the SMILES notation for 1-[1-[(6-methyl-3-pyridinyl)methyl]azetidin-3-yl]piperazine?
The canonical SMILES for 1-[1-[(6-methyl-3-pyridinyl)methyl]azetidin-3-yl]piperazine is Cc1ccc(CN2CC(N3CCNCC3)C2)cn1.
What is the InChIKey of 1-[1-[(6-methyl-3-pyridinyl)methyl]azetidin-3-yl]piperazine?
The InChIKey is RFGPMPSMUBQHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-12-2-3-13(8-16-12)9-17-10-14(11-17)18-6-4-15-5-7-18/h2-3,8,14-15H,4-7,9-11H2,1H3.
What are the key properties of 1-[1-[(6-methyl-3-pyridinyl)methyl]azetidin-3-yl]piperazine?
1-[1-[(6-methyl-3-pyridinyl)methyl]azetidin-3-yl]piperazine has a molecular weight of 246.36 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(6-methyl-3-pyridinyl)methyl]azetidin-3-yl]piperazine is sourced from PubChem (CID 104822700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).