1-benzyl-4-methyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)piperazine

C16H24N4 — CID 18982042

IUPAC1-benzyl-4-methyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)piperazine
SMILESCN1CCN(Cc2ccccc2)C(C2=NCCCN2)C1
InChIInChI=1S/C16H24N4/c1-19-10-11-20(12-14-6-3-2-4-7-14)15(13-19)16-17-8-5-9-18-16/h2-4,6-7,15H,5,8-13H2,1H3,(H,17,18)
InChIKeyBZWQWOLKESEWEJ-UHFFFAOYSA-N
MW272.40 g/mol
LogP1.19
Rot. Bonds3

About 1-benzyl-4-methyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)piperazine

1-benzyl-4-methyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)piperazine (PubChem CID 18982042) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 1-benzyl-4-methyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)piperazine.

Molecular Properties

Compound Name1-benzyl-4-methyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)piperazine
PubChem CID18982042
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name1-benzyl-4-methyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)piperazine
SMILESCN1CCN(Cc2ccccc2)C(C2=NCCCN2)C1
InChIInChI=1S/C16H24N4/c1-19-10-11-20(12-14-6-3-2-4-7-14)15(13-19)16-17-8-5-9-18-16/h2-4,6-7,15H,5,8-13H2,1H3,(H,17,18)
InChIKeyBZWQWOLKESEWEJ-UHFFFAOYSA-N
XLogP1.19
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-2,4-dimethylpiperazine;ethane
CID 145145723
N-[(1-benzylpyrrolidin-2-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 111337607
4,11-dibenzyl-1,5,8,12-tetramethyl-1,4,8,11-tetrazacyclotetradecane
CID 101436229
1-[3-(1-benzylpiperidin-2-yl)-2-pyridinyl]piperazine
CID 102541676
(9-benzyl-1,5-dimethyl-1,5,9-triazacyclododec-3-yl)methanol
CID 142177909
(2R)-1-[[4-methoxy-3-(pyridin-2-ylmethoxy)phenyl]methyl]-4-methyl-2-phenylpiperazine
CID 93242193
1,4-bis[(2,4-dichlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)piperazine
CID 10624256
2-[(2R)-1-benzylpyrrolidin-2-yl]-5-methyl-1H-imidazole
CID 124978577
[2-[(4-methyl-2-phenylpiperazin-1-yl)methyl]phenyl]methanamine
CID 18070759
1-benzyl-4-methylpiperazine;methanamine
CID 174694163
phenyl 2-(1,4-dibenzylpiperazin-2-yl)-4,5-dihydroimidazole-1-carboxylate
CID 18982048
4-methyl-2-propan-2-yl-1-(pyridin-4-ylmethyl)piperazine
CID 75506916

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-methyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)piperazine?
The IUPAC name of 1-benzyl-4-methyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)piperazine (CID 18982042) is 1-benzyl-4-methyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)piperazine.
What is the SMILES notation for 1-benzyl-4-methyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)piperazine?
The canonical SMILES for 1-benzyl-4-methyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)piperazine is CN1CCN(Cc2ccccc2)C(C2=NCCCN2)C1.
What is the InChIKey of 1-benzyl-4-methyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)piperazine?
The InChIKey is BZWQWOLKESEWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-19-10-11-20(12-14-6-3-2-4-7-14)15(13-19)16-17-8-5-9-18-16/h2-4,6-7,15H,5,8-13H2,1H3,(H,17,18).
What are the key properties of 1-benzyl-4-methyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)piperazine?
1-benzyl-4-methyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)piperazine has a molecular weight of 272.40 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-methyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)piperazine is sourced from PubChem (CID 18982042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).