cyclopentyl-(4-phenylpiperazin-1-yl)methanimine

C16H23N3 — CID 63178479

IUPACcyclopentyl-(4-phenylpiperazin-1-yl)methanimine
SMILES[H]/N=C(\C1CCCC1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C16H23N3/c17-16(14-6-4-5-7-14)19-12-10-18(11-13-19)15-8-2-1-3-9-15/h1-3,8-9,14,17H,4-7,10-13H2/b17-16+
InChIKeyXKMAVEZNTUKAFK-WUKNDPDISA-N
MW257.38 g/mol
LogP2.98
Rot. Bonds2

About cyclopentyl-(4-phenylpiperazin-1-yl)methanimine

cyclopentyl-(4-phenylpiperazin-1-yl)methanimine (PubChem CID 63178479) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is cyclopentyl-(4-phenylpiperazin-1-yl)methanimine.

Molecular Properties

Compound Namecyclopentyl-(4-phenylpiperazin-1-yl)methanimine
PubChem CID63178479
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Namecyclopentyl-(4-phenylpiperazin-1-yl)methanimine
SMILES[H]/N=C(\C1CCCC1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C16H23N3/c17-16(14-6-4-5-7-14)19-12-10-18(11-13-19)15-8-2-1-3-9-15/h1-3,8-9,14,17H,4-7,10-13H2/b17-16+
InChIKeyXKMAVEZNTUKAFK-WUKNDPDISA-N
XLogP2.98
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(4-benzylpiperazin-1-yl)-cyclohexylmethanimine
CID 63178264
cyclohexyl-(3-phenylpyrrolidin-1-yl)methanimine
CID 63175688
N-cyclopentyl-4-phenylpiperazine-1-carbothioamide
CID 892113
cyclopentyl(1,2,5-dithiazepan-5-yl)methanimine
CID 130616752
2-(4-phenylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 2933500
1-(4-phenylpiperazin-1-yl)-2-piperidin-1-ylethane-1,2-dione
CID 2200683
cyclohexyl-[2-(4-phenylpiperazine-1-carbonyl)pyrrolidin-1-yl]methanone
CID 55731339
2-cyclohexyl-1-(4-phenylpiperazin-1-yl)ethanone
CID 806694
[(3R)-1-methylpiperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 96588049
oxan-3-yl-(4-phenylpiperazin-1-yl)methanone
CID 110853203
N-cyclohexyl-4-phenylpiperazine-1-carboxamide
CID 858165
3-imino-3-(4-phenylpiperazin-1-yl)propanenitrile
CID 2763621

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-(4-phenylpiperazin-1-yl)methanimine?
The IUPAC name of cyclopentyl-(4-phenylpiperazin-1-yl)methanimine (CID 63178479) is cyclopentyl-(4-phenylpiperazin-1-yl)methanimine.
What is the SMILES notation for cyclopentyl-(4-phenylpiperazin-1-yl)methanimine?
The canonical SMILES for cyclopentyl-(4-phenylpiperazin-1-yl)methanimine is [H]/N=C(\C1CCCC1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of cyclopentyl-(4-phenylpiperazin-1-yl)methanimine?
The InChIKey is XKMAVEZNTUKAFK-WUKNDPDISA-N. The full InChI is InChI=1S/C16H23N3/c17-16(14-6-4-5-7-14)19-12-10-18(11-13-19)15-8-2-1-3-9-15/h1-3,8-9,14,17H,4-7,10-13H2/b17-16+.
What are the key properties of cyclopentyl-(4-phenylpiperazin-1-yl)methanimine?
cyclopentyl-(4-phenylpiperazin-1-yl)methanimine has a molecular weight of 257.38 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-(4-phenylpiperazin-1-yl)methanimine is sourced from PubChem (CID 63178479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).