ethane;N-[2-(4-phenylpiperazin-1-yl)ethyl]methanimine

C17H31N3 — CID 91214897

IUPACethane;N-[2-(4-phenylpiperazin-1-yl)ethyl]methanimine
SMILESC=NCCN1CCN(c2ccccc2)CC1.CC.CC
InChIInChI=1S/C13H19N3.2C2H6/c1-14-7-8-15-9-11-16(12-10-15)13-5-3-2-4-6-13;2*1-2/h2-6H,1,7-12H2;2*1-2H3
InChIKeyHVBVRDMNTSTRRC-UHFFFAOYSA-N
MW277.46 g/mol
LogP3.56
Rot. Bonds4

About ethane;N-[2-(4-phenylpiperazin-1-yl)ethyl]methanimine

ethane;N-[2-(4-phenylpiperazin-1-yl)ethyl]methanimine (PubChem CID 91214897) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is ethane;N-[2-(4-phenylpiperazin-1-yl)ethyl]methanimine.

Molecular Properties

Compound Nameethane;N-[2-(4-phenylpiperazin-1-yl)ethyl]methanimine
PubChem CID91214897
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC Nameethane;N-[2-(4-phenylpiperazin-1-yl)ethyl]methanimine
SMILESC=NCCN1CCN(c2ccccc2)CC1.CC.CC
InChIInChI=1S/C13H19N3.2C2H6/c1-14-7-8-15-9-11-16(12-10-15)13-5-3-2-4-6-13;2*1-2/h2-6H,1,7-12H2;2*1-2H3
InChIKeyHVBVRDMNTSTRRC-UHFFFAOYSA-N
XLogP3.56
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-[2-(4-phenylpiperazin-1-yl)ethyl]thiomorpholine
CID 91828439
1-(2-methylsulfonylethyl)-4-phenylpiperazine
CID 70946596
1-phenyl-4-(3,3,3-trifluoropropyl)piperazine
CID 141293309
1-phenyl-4-[(3R)-3-phenylbutyl]piperazine
CID 7047121
N-(4-phenylpiperazin-1-yl)methanimine
CID 66881975
2-(4-phenylpiperazin-1-yl)ethyl nitrate
CID 44569162
4-[2-(4-phenylpiperazin-1-yl)ethoxy]aniline
CID 15573951
1-(3-phenoxypropyl)-4-phenylpiperazine;hydrochloride
CID 53329616
1-phenyl-4-[2-(5-phenyltriazol-1-yl)ethyl]piperazine
CID 142709635
3-(4-methylpiperazin-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 110853147
(1R,6S)-9-methyl-3-[2-(4-phenylpiperazin-1-yl)ethyl]-3,9-diazabicyclo[4.2.1]nonane
CID 91839382
1-(4-methylpiperazin-1-yl)-3-(4-phenylpiperazin-1-yl)propan-1-one
CID 109017216

Frequently Asked Questions

What is the IUPAC name of ethane;N-[2-(4-phenylpiperazin-1-yl)ethyl]methanimine?
The IUPAC name of ethane;N-[2-(4-phenylpiperazin-1-yl)ethyl]methanimine (CID 91214897) is ethane;N-[2-(4-phenylpiperazin-1-yl)ethyl]methanimine.
What is the SMILES notation for ethane;N-[2-(4-phenylpiperazin-1-yl)ethyl]methanimine?
The canonical SMILES for ethane;N-[2-(4-phenylpiperazin-1-yl)ethyl]methanimine is C=NCCN1CCN(c2ccccc2)CC1.CC.CC.
What is the InChIKey of ethane;N-[2-(4-phenylpiperazin-1-yl)ethyl]methanimine?
The InChIKey is HVBVRDMNTSTRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3.2C2H6/c1-14-7-8-15-9-11-16(12-10-15)13-5-3-2-4-6-13;2*1-2/h2-6H,1,7-12H2;2*1-2H3.
What are the key properties of ethane;N-[2-(4-phenylpiperazin-1-yl)ethyl]methanimine?
ethane;N-[2-(4-phenylpiperazin-1-yl)ethyl]methanimine has a molecular weight of 277.46 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[2-(4-phenylpiperazin-1-yl)ethyl]methanimine is sourced from PubChem (CID 91214897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).