1-benzyl-2-methyl-4-(4-methylpiperidin-4-yl)piperazine

C18H29N3 — CID 69047324

IUPAC1-benzyl-2-methyl-4-(4-methylpiperidin-4-yl)piperazine
SMILESCC1CN(C2(C)CCNCC2)CCN1Cc1ccccc1
InChIInChI=1S/C18H29N3/c1-16-14-21(18(2)8-10-19-11-9-18)13-12-20(16)15-17-6-4-3-5-7-17/h3-7,16,19H,8-15H2,1-2H3
InChIKeyAQGBOYLCKQIUAN-UHFFFAOYSA-N
MW287.45 g/mol
LogP2.33
Rot. Bonds3

About 1-benzyl-2-methyl-4-(4-methylpiperidin-4-yl)piperazine

1-benzyl-2-methyl-4-(4-methylpiperidin-4-yl)piperazine (PubChem CID 69047324) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is 1-benzyl-2-methyl-4-(4-methylpiperidin-4-yl)piperazine.

Molecular Properties

Compound Name1-benzyl-2-methyl-4-(4-methylpiperidin-4-yl)piperazine
PubChem CID69047324
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name1-benzyl-2-methyl-4-(4-methylpiperidin-4-yl)piperazine
SMILESCC1CN(C2(C)CCNCC2)CCN1Cc1ccccc1
InChIInChI=1S/C18H29N3/c1-16-14-21(18(2)8-10-19-11-9-18)13-12-20(16)15-17-6-4-3-5-7-17/h3-7,16,19H,8-15H2,1-2H3
InChIKeyAQGBOYLCKQIUAN-UHFFFAOYSA-N
XLogP2.33
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-[(3R)-4-benzyl-3-methylpiperazin-1-yl]-4-methylpiperidine-1-carboxylate
CID 71096758
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1-benzyl-2,4-dimethylpiperazine;ethane
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2-benzyl-1-ethyl-2,8-diazaspiro[4.5]decane
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2-benzyl-1-methyl-2,7-diazaspiro[4.4]nonane
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4-benzyl-2-methyl-1,4-diazabicyclo[3.2.2]nonane
CID 130838279
4,11-dibenzyl-1,5,8,12-tetramethyl-1,4,8,11-tetrazacyclotetradecane
CID 101436229
(4-benzyl-3-methylpiperazin-1-yl)-phenylmethanone
CID 10803751
1-benzyl-2,4,5-trimethylpiperazine
CID 72621990
4-benzyl-5-methyl-1-piperidin-3-yl-1,4-diazepane
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2-(4-benzyl-3-methylpiperazin-1-yl)ethanethioamide
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(4S)-1-benzyl-2,4-dimethylpyrrolidine
CID 118651465

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-methyl-4-(4-methylpiperidin-4-yl)piperazine?
The IUPAC name of 1-benzyl-2-methyl-4-(4-methylpiperidin-4-yl)piperazine (CID 69047324) is 1-benzyl-2-methyl-4-(4-methylpiperidin-4-yl)piperazine.
What is the SMILES notation for 1-benzyl-2-methyl-4-(4-methylpiperidin-4-yl)piperazine?
The canonical SMILES for 1-benzyl-2-methyl-4-(4-methylpiperidin-4-yl)piperazine is CC1CN(C2(C)CCNCC2)CCN1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-methyl-4-(4-methylpiperidin-4-yl)piperazine?
The InChIKey is AQGBOYLCKQIUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-16-14-21(18(2)8-10-19-11-9-18)13-12-20(16)15-17-6-4-3-5-7-17/h3-7,16,19H,8-15H2,1-2H3.
What are the key properties of 1-benzyl-2-methyl-4-(4-methylpiperidin-4-yl)piperazine?
1-benzyl-2-methyl-4-(4-methylpiperidin-4-yl)piperazine has a molecular weight of 287.45 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-methyl-4-(4-methylpiperidin-4-yl)piperazine is sourced from PubChem (CID 69047324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).