N-[3-(4-benzylpiperazin-1-yl)propoxy]-6-butylidenecyclohexen-1-amine

C24H37N3O — CID 57152021

IUPACN-[3-(4-benzylpiperazin-1-yl)propoxy]-6-butylidenecyclohexen-1-amine
SMILESCCCC=C1CCCC=C1NOCCCN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H37N3O/c1-2-3-12-23-13-7-8-14-24(23)25-28-20-9-15-26-16-18-27(19-17-26)21-22-10-5-4-6-11-22/h4-6,10-12,14,25H,2-3,7-9,13,15-21H2,1H3
InChIKeyQNPJFYDTVCYTLG-UHFFFAOYSA-N
MW383.58 g/mol
LogP4.51
Rot. Bonds10

About N-[3-(4-benzylpiperazin-1-yl)propoxy]-6-butylidenecyclohexen-1-amine

N-[3-(4-benzylpiperazin-1-yl)propoxy]-6-butylidenecyclohexen-1-amine (PubChem CID 57152021) has the molecular formula C24H37N3O and a molecular weight of 383.58 g/mol. Its IUPAC name is N-[3-(4-benzylpiperazin-1-yl)propoxy]-6-butylidenecyclohexen-1-amine.

Molecular Properties

Compound NameN-[3-(4-benzylpiperazin-1-yl)propoxy]-6-butylidenecyclohexen-1-amine
PubChem CID57152021
Molecular FormulaC24H37N3O
Molecular Weight383.58 g/mol
Exact Mass383.29
IUPAC NameN-[3-(4-benzylpiperazin-1-yl)propoxy]-6-butylidenecyclohexen-1-amine
SMILESCCCC=C1CCCC=C1NOCCCN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H37N3O/c1-2-3-12-23-13-7-8-14-24(23)25-28-20-9-15-26-16-18-27(19-17-26)21-22-10-5-4-6-11-22/h4-6,10-12,14,25H,2-3,7-9,13,15-21H2,1H3
InChIKeyQNPJFYDTVCYTLG-UHFFFAOYSA-N
XLogP4.51
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.58
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-((E)-1,2-Diphenyl-vinyl)-4-methyl-piperazine
CID 44272507
2-Picolinium, 2-(1-butyl-4-hydroxy-1-methyl-4-piperidiniomethyl)-1-methyl-, diiodide
CID 3053444
N-[2-(4-benzylpiperazin-1-yl)ethoxy]-6-[(4-fluorophenyl)methylidene]-2-pentylcyclohexen-1-amine
CID 57129640
1-(4-fluorophenyl)-6-methyl-N-(3-piperidin-1-ylpropoxy)hepta-1,3-dien-3-amine
CID 57265218
N-benzyl-N'-methyltetrahydroquinoxaline
CID 129790040
1-[(1E,3E)-1,4-diphenylbuta-1,3-dienyl]-4-methylpiperazine
CID 164679251
1-Benzyl-4-butyl-1-methoxy-4-methylpiperazine-1,4-diium
CID 3053445
(E)-N-[3-(4-benzylpiperazin-1-yl)propoxy]-2-butylcyclohexan-1-imine
CID 9588348
(E,2E)-N-[3-(4-benzylpiperazin-1-yl)propoxy]-2-butylidenecyclohexan-1-imine
CID 9588352
(E,2E)-N-[3-(4-benzylpiperazin-1-yl)propoxy]-2-pentylidenecyclohexan-1-imine
CID 9588356
1-benzyl-N-(2,2,2-trifluoroethoxy)piperidin-3-amine
CID 82712792
N-[3-(4-benzylpiperazin-1-yl)propoxy]-2-butylcyclohexan-1-imine
CID 3061109

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-benzylpiperazin-1-yl)propoxy]-6-butylidenecyclohexen-1-amine?
The IUPAC name of N-[3-(4-benzylpiperazin-1-yl)propoxy]-6-butylidenecyclohexen-1-amine (CID 57152021) is N-[3-(4-benzylpiperazin-1-yl)propoxy]-6-butylidenecyclohexen-1-amine.
What is the SMILES notation for N-[3-(4-benzylpiperazin-1-yl)propoxy]-6-butylidenecyclohexen-1-amine?
The canonical SMILES for N-[3-(4-benzylpiperazin-1-yl)propoxy]-6-butylidenecyclohexen-1-amine is CCCC=C1CCCC=C1NOCCCN1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-[3-(4-benzylpiperazin-1-yl)propoxy]-6-butylidenecyclohexen-1-amine?
The InChIKey is QNPJFYDTVCYTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O/c1-2-3-12-23-13-7-8-14-24(23)25-28-20-9-15-26-16-18-27(19-17-26)21-22-10-5-4-6-11-22/h4-6,10-12,14,25H,2-3,7-9,13,15-21H2,1H3.
What are the key properties of N-[3-(4-benzylpiperazin-1-yl)propoxy]-6-butylidenecyclohexen-1-amine?
N-[3-(4-benzylpiperazin-1-yl)propoxy]-6-butylidenecyclohexen-1-amine has a molecular weight of 383.58 g/mol, XLogP of 4.51, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-benzylpiperazin-1-yl)propoxy]-6-butylidenecyclohexen-1-amine is sourced from PubChem (CID 57152021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).