ethane;1-[(3-methoxy-5-methylphenyl)methyl]-4-methylpiperazine

C16H28N2O — CID 144655249

IUPACethane;1-[(3-methoxy-5-methylphenyl)methyl]-4-methylpiperazine
SMILESCC.COc1cc(C)cc(CN2CCN(C)CC2)c1
InChIInChI=1S/C14H22N2O.C2H6/c1-12-8-13(10-14(9-12)17-3)11-16-6-4-15(2)5-7-16;1-2/h8-10H,4-7,11H2,1-3H3;1-2H3
InChIKeyUJZCYFXQJKDLQP-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.78
Rot. Bonds3

About ethane;1-[(3-methoxy-5-methylphenyl)methyl]-4-methylpiperazine

ethane;1-[(3-methoxy-5-methylphenyl)methyl]-4-methylpiperazine (PubChem CID 144655249) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is ethane;1-[(3-methoxy-5-methylphenyl)methyl]-4-methylpiperazine.

Molecular Properties

Compound Nameethane;1-[(3-methoxy-5-methylphenyl)methyl]-4-methylpiperazine
PubChem CID144655249
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Nameethane;1-[(3-methoxy-5-methylphenyl)methyl]-4-methylpiperazine
SMILESCC.COc1cc(C)cc(CN2CCN(C)CC2)c1
InChIInChI=1S/C14H22N2O.C2H6/c1-12-8-13(10-14(9-12)17-3)11-16-6-4-15(2)5-7-16;1-2/h8-10H,4-7,11H2,1-3H3;1-2H3
InChIKeyUJZCYFXQJKDLQP-UHFFFAOYSA-N
XLogP2.78
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 2874283
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CID 143962339
2-[4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-yl]-5-methylpyrimidine
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ethane;1-[(2-methoxy-5-methylphenyl)methyl]-4-methylpiperazine
CID 144540102
1-(2-bromoethyl)-3-methoxy-5-methylbenzene
CID 174367623
4-[[3-methyl-5-[(2-methylpropan-2-yl)oxy]phenyl]methyl]morpholine
CID 21060369
1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-amine;hydrochloride
CID 119041063
ethane;1-ethyl-4-[(3-methoxyphenyl)methyl]piperazine
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ethyl 4-[(3-amino-5-methoxyphenyl)methyl]piperazine-1-carboxylate
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CID 163326430

Frequently Asked Questions

What is the IUPAC name of ethane;1-[(3-methoxy-5-methylphenyl)methyl]-4-methylpiperazine?
The IUPAC name of ethane;1-[(3-methoxy-5-methylphenyl)methyl]-4-methylpiperazine (CID 144655249) is ethane;1-[(3-methoxy-5-methylphenyl)methyl]-4-methylpiperazine.
What is the SMILES notation for ethane;1-[(3-methoxy-5-methylphenyl)methyl]-4-methylpiperazine?
The canonical SMILES for ethane;1-[(3-methoxy-5-methylphenyl)methyl]-4-methylpiperazine is CC.COc1cc(C)cc(CN2CCN(C)CC2)c1.
What is the InChIKey of ethane;1-[(3-methoxy-5-methylphenyl)methyl]-4-methylpiperazine?
The InChIKey is UJZCYFXQJKDLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O.C2H6/c1-12-8-13(10-14(9-12)17-3)11-16-6-4-15(2)5-7-16;1-2/h8-10H,4-7,11H2,1-3H3;1-2H3.
What are the key properties of ethane;1-[(3-methoxy-5-methylphenyl)methyl]-4-methylpiperazine?
ethane;1-[(3-methoxy-5-methylphenyl)methyl]-4-methylpiperazine has a molecular weight of 264.41 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(3-methoxy-5-methylphenyl)methyl]-4-methylpiperazine is sourced from PubChem (CID 144655249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).