1-ethyl-4-[[4-(propan-2-yloxymethyl)phenyl]methyl]piperazine

C17H28N2O — CID 153390717

IUPAC1-ethyl-4-[[4-(propan-2-yloxymethyl)phenyl]methyl]piperazine
SMILESCCN1CCN(Cc2ccc(COC(C)C)cc2)CC1
InChIInChI=1S/C17H28N2O/c1-4-18-9-11-19(12-10-18)13-16-5-7-17(8-6-16)14-20-15(2)3/h5-8,15H,4,9-14H2,1-3H3
InChIKeyXPWJSVYMOXBZHG-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.75
Rot. Bonds6

About 1-ethyl-4-[[4-(propan-2-yloxymethyl)phenyl]methyl]piperazine

1-ethyl-4-[[4-(propan-2-yloxymethyl)phenyl]methyl]piperazine (PubChem CID 153390717) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-ethyl-4-[[4-(propan-2-yloxymethyl)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-ethyl-4-[[4-(propan-2-yloxymethyl)phenyl]methyl]piperazine
PubChem CID153390717
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-ethyl-4-[[4-(propan-2-yloxymethyl)phenyl]methyl]piperazine
SMILESCCN1CCN(Cc2ccc(COC(C)C)cc2)CC1
InChIInChI=1S/C17H28N2O/c1-4-18-9-11-19(12-10-18)13-16-5-7-17(8-6-16)14-20-15(2)3/h5-8,15H,4,9-14H2,1-3H3
InChIKeyXPWJSVYMOXBZHG-UHFFFAOYSA-N
XLogP2.75
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;1-ethyl-4-[[4-(methoxymethyl)phenyl]methyl]piperazine
CID 155582592
ethane;1-[[4-(ethoxymethyl)phenyl]methyl]-4-ethylpiperazine
CID 154684379
1-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]ethanamine
CID 82166048
N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]propan-2-amine
CID 62419563
N,N-diethyl-4-[(4-ethylpiperazin-1-yl)methyl]aniline
CID 782564
[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]boronic acid
CID 54971095
1-[4-[[3-(propan-2-yloxymethyl)phenyl]methyl]piperazin-1-yl]ethanone
CID 176777487
4-propan-2-yl-1-[[4-(propan-2-yloxymethoxy)phenyl]methyl]piperidine
CID 171431363
1-(methoxymethyl)-4-(propan-2-yloxymethyl)benzene
CID 70670788
N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 62419565
1,4-diethyl-7-[[4-(2-methylprop-2-enyl)phenyl]methyl]-1,4,7-triazonane;ethane
CID 176994919
4-(propan-2-yloxymethyl)benzonitrile
CID 15647231

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[[4-(propan-2-yloxymethyl)phenyl]methyl]piperazine?
The IUPAC name of 1-ethyl-4-[[4-(propan-2-yloxymethyl)phenyl]methyl]piperazine (CID 153390717) is 1-ethyl-4-[[4-(propan-2-yloxymethyl)phenyl]methyl]piperazine.
What is the SMILES notation for 1-ethyl-4-[[4-(propan-2-yloxymethyl)phenyl]methyl]piperazine?
The canonical SMILES for 1-ethyl-4-[[4-(propan-2-yloxymethyl)phenyl]methyl]piperazine is CCN1CCN(Cc2ccc(COC(C)C)cc2)CC1.
What is the InChIKey of 1-ethyl-4-[[4-(propan-2-yloxymethyl)phenyl]methyl]piperazine?
The InChIKey is XPWJSVYMOXBZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-18-9-11-19(12-10-18)13-16-5-7-17(8-6-16)14-20-15(2)3/h5-8,15H,4,9-14H2,1-3H3.
What are the key properties of 1-ethyl-4-[[4-(propan-2-yloxymethyl)phenyl]methyl]piperazine?
1-ethyl-4-[[4-(propan-2-yloxymethyl)phenyl]methyl]piperazine has a molecular weight of 276.42 g/mol, XLogP of 2.75, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[[4-(propan-2-yloxymethyl)phenyl]methyl]piperazine is sourced from PubChem (CID 153390717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).