ethane;1-ethyl-4-[(3-methoxyphenyl)methyl]piperazine

C16H28N2O — CID 166149452

IUPACethane;1-ethyl-4-[(3-methoxyphenyl)methyl]piperazine
SMILESCC.CCN1CCN(Cc2cccc(OC)c2)CC1
InChIInChI=1S/C14H22N2O.C2H6/c1-3-15-7-9-16(10-8-15)12-13-5-4-6-14(11-13)17-2;1-2/h4-6,11H,3,7-10,12H2,1-2H3;1-2H3
InChIKeyGDBCBNVDNMVRFT-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.86
Rot. Bonds4

About ethane;1-ethyl-4-[(3-methoxyphenyl)methyl]piperazine

ethane;1-ethyl-4-[(3-methoxyphenyl)methyl]piperazine (PubChem CID 166149452) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is ethane;1-ethyl-4-[(3-methoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Nameethane;1-ethyl-4-[(3-methoxyphenyl)methyl]piperazine
PubChem CID166149452
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Nameethane;1-ethyl-4-[(3-methoxyphenyl)methyl]piperazine
SMILESCC.CCN1CCN(Cc2cccc(OC)c2)CC1
InChIInChI=1S/C14H22N2O.C2H6/c1-3-15-7-9-16(10-8-15)12-13-5-4-6-14(11-13)17-2;1-2/h4-6,11H,3,7-10,12H2,1-2H3;1-2H3
InChIKeyGDBCBNVDNMVRFT-UHFFFAOYSA-N
XLogP2.86
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine
CID 2873492
1-(3-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]piperazine
CID 22199424
1-[(4-ethoxyphenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperazine
CID 2168286
1-(2-chloroethyl)-4-[(3-methoxyphenyl)methyl]piperazine
CID 23363898
(4-ethylpiperazin-1-yl)-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]methanone
CID 795804
4-[(3-methoxyphenyl)methyl]thiomorpholine
CID 763908
1-[(2,6-dichlorophenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperazine
CID 22195001
4-chloro-1-[(3-methoxyphenyl)methyl]piperidine
CID 63389704
4-(1-bromoethyl)-1-[(3-methoxyphenyl)methyl]piperidine
CID 106838408
1-cycloheptyl-4-[(3-methoxyphenyl)methyl]piperazine
CID 877620
N-ethyl-4-[(3-methoxyphenyl)methyl]piperazine-1-carbothioamide
CID 19289450
1-[(3-methoxyphenyl)methyl]piperidine;phenylmethanamine
CID 174819320

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-4-[(3-methoxyphenyl)methyl]piperazine?
The IUPAC name of ethane;1-ethyl-4-[(3-methoxyphenyl)methyl]piperazine (CID 166149452) is ethane;1-ethyl-4-[(3-methoxyphenyl)methyl]piperazine.
What is the SMILES notation for ethane;1-ethyl-4-[(3-methoxyphenyl)methyl]piperazine?
The canonical SMILES for ethane;1-ethyl-4-[(3-methoxyphenyl)methyl]piperazine is CC.CCN1CCN(Cc2cccc(OC)c2)CC1.
What is the InChIKey of ethane;1-ethyl-4-[(3-methoxyphenyl)methyl]piperazine?
The InChIKey is GDBCBNVDNMVRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O.C2H6/c1-3-15-7-9-16(10-8-15)12-13-5-4-6-14(11-13)17-2;1-2/h4-6,11H,3,7-10,12H2,1-2H3;1-2H3.
What are the key properties of ethane;1-ethyl-4-[(3-methoxyphenyl)methyl]piperazine?
ethane;1-ethyl-4-[(3-methoxyphenyl)methyl]piperazine has a molecular weight of 264.41 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-4-[(3-methoxyphenyl)methyl]piperazine is sourced from PubChem (CID 166149452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).