ethane;1-(4-ethylphenyl)-4-propylpiperazine

C17H30N2 — CID 170586742

IUPACethane;1-(4-ethylphenyl)-4-propylpiperazine
SMILESCC.CCCN1CCN(c2ccc(CC)cc2)CC1
InChIInChI=1S/C15H24N2.C2H6/c1-3-9-16-10-12-17(13-11-16)15-7-5-14(4-2)6-8-15;1-2/h5-8H,3-4,9-13H2,1-2H3;1-2H3
InChIKeyFSCJOEYATCFBML-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.81
Rot. Bonds4

About ethane;1-(4-ethylphenyl)-4-propylpiperazine

ethane;1-(4-ethylphenyl)-4-propylpiperazine (PubChem CID 170586742) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is ethane;1-(4-ethylphenyl)-4-propylpiperazine.

Molecular Properties

Compound Nameethane;1-(4-ethylphenyl)-4-propylpiperazine
PubChem CID170586742
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Nameethane;1-(4-ethylphenyl)-4-propylpiperazine
SMILESCC.CCCN1CCN(c2ccc(CC)cc2)CC1
InChIInChI=1S/C15H24N2.C2H6/c1-3-9-16-10-12-17(13-11-16)15-7-5-14(4-2)6-8-15;1-2/h5-8H,3-4,9-13H2,1-2H3;1-2H3
InChIKeyFSCJOEYATCFBML-UHFFFAOYSA-N
XLogP3.81
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

butane;ethane;1-(4-ethylphenyl)-4-methylpiperazine
CID 143709843
3-[4-(4-ethylphenyl)piperazin-1-yl]propan-1-amine
CID 82017690
1-(4-methoxyphenyl)-4-propylpiperazine
CID 12854846
[4-[4-(4-ethylphenyl)piperazin-1-yl]phenyl]methanamine
CID 71009970
1,4-dimethylcyclohexane;1-ethyl-4-(4-ethylphenyl)piperazine;1,4-xylene
CID 167661867
4-(4-ethylphenyl)morpholine
CID 20576442
N-benzyl-4-(4-propylpiperazin-1-yl)aniline
CID 112721259
ethane;4-ethyl-1-(4-ethylphenyl)piperidine
CID 142390325
2-[4-(4-propylpiperazin-1-yl)anilino]ethanethiol
CID 112721270
N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-4-ethylbenzenesulfonamide
CID 42388771
N-(2-phenylethyl)-4-(4-propylpiperazin-1-yl)aniline
CID 112721256
5-ethyl-2-(4-propylpiperazin-1-yl)pyrimidine
CID 168923337

Frequently Asked Questions

What is the IUPAC name of ethane;1-(4-ethylphenyl)-4-propylpiperazine?
The IUPAC name of ethane;1-(4-ethylphenyl)-4-propylpiperazine (CID 170586742) is ethane;1-(4-ethylphenyl)-4-propylpiperazine.
What is the SMILES notation for ethane;1-(4-ethylphenyl)-4-propylpiperazine?
The canonical SMILES for ethane;1-(4-ethylphenyl)-4-propylpiperazine is CC.CCCN1CCN(c2ccc(CC)cc2)CC1.
What is the InChIKey of ethane;1-(4-ethylphenyl)-4-propylpiperazine?
The InChIKey is FSCJOEYATCFBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2.C2H6/c1-3-9-16-10-12-17(13-11-16)15-7-5-14(4-2)6-8-15;1-2/h5-8H,3-4,9-13H2,1-2H3;1-2H3.
What are the key properties of ethane;1-(4-ethylphenyl)-4-propylpiperazine?
ethane;1-(4-ethylphenyl)-4-propylpiperazine has a molecular weight of 262.44 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(4-ethylphenyl)-4-propylpiperazine is sourced from PubChem (CID 170586742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).