1-benzyl-3-methylpiperazine;ethane

C14H24N2 — CID 166543639

IUPAC1-benzyl-3-methylpiperazine;ethane
SMILESCC.CC1CN(Cc2ccccc2)CCN1
InChIInChI=1S/C12H18N2.C2H6/c1-11-9-14(8-7-13-11)10-12-5-3-2-4-6-12;1-2/h2-6,11,13H,7-10H2,1H3;1-2H3
InChIKeyKWAUTCIUPBZILP-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.51
Rot. Bonds2

About 1-benzyl-3-methylpiperazine;ethane

1-benzyl-3-methylpiperazine;ethane (PubChem CID 166543639) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 1-benzyl-3-methylpiperazine;ethane.

Molecular Properties

Compound Name1-benzyl-3-methylpiperazine;ethane
PubChem CID166543639
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name1-benzyl-3-methylpiperazine;ethane
SMILESCC.CC1CN(Cc2ccccc2)CCN1
InChIInChI=1S/C12H18N2.C2H6/c1-11-9-14(8-7-13-11)10-12-5-3-2-4-6-12;1-2/h2-6,11,13H,7-10H2,1H3;1-2H3
InChIKeyKWAUTCIUPBZILP-UHFFFAOYSA-N
XLogP2.51
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-benzyl-3-methylpiperazine;hydrochloride
CID 52982949
(3S)-3-methyl-1-(2-phenylethyl)piperazine
CID 95243884
3-methyl-1-[(3-methylphenyl)methyl]piperazine
CID 64834386
(3R)-1-benzyl-3-ethylpiperazine
CID 45356982
ethane;3-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 177060331
3-methyl-1-(pyridin-3-ylmethyl)piperazine
CID 64832187
(3R)-1-[(1-benzyltetrazol-5-yl)methyl]-3-methylpiperazine
CID 104975221
(3S)-3-methyl-1-[(4-propan-2-ylphenyl)methyl]piperazine
CID 95449204
(3S)-1-[(4-methoxyphenyl)methyl]-3-methylpiperazine
CID 66524664
(3R)-1-[(4-methoxyphenyl)methyl]-3-methylpiperazine
CID 86328502
(3S)-1-benzyl-3-phenylpiperazine
CID 51910764
(3R)-1-[[4-(difluoromethyl)phenyl]methyl]-3-methylpiperazine
CID 120615750

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-methylpiperazine;ethane?
The IUPAC name of 1-benzyl-3-methylpiperazine;ethane (CID 166543639) is 1-benzyl-3-methylpiperazine;ethane.
What is the SMILES notation for 1-benzyl-3-methylpiperazine;ethane?
The canonical SMILES for 1-benzyl-3-methylpiperazine;ethane is CC.CC1CN(Cc2ccccc2)CCN1.
What is the InChIKey of 1-benzyl-3-methylpiperazine;ethane?
The InChIKey is KWAUTCIUPBZILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2.C2H6/c1-11-9-14(8-7-13-11)10-12-5-3-2-4-6-12;1-2/h2-6,11,13H,7-10H2,1H3;1-2H3.
What are the key properties of 1-benzyl-3-methylpiperazine;ethane?
1-benzyl-3-methylpiperazine;ethane has a molecular weight of 220.36 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-methylpiperazine;ethane is sourced from PubChem (CID 166543639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).