1-(4-cyclohexylpiperazin-1-yl)butan-1-imine

C14H27N3 — CID 89336941

IUPAC1-(4-cyclohexylpiperazin-1-yl)butan-1-imine
SMILES[H]/N=C(\CCC)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C14H27N3/c1-2-6-14(15)17-11-9-16(10-12-17)13-7-4-3-5-8-13/h13,15H,2-12H2,1H3/b15-14+
InChIKeyNOCNVEZCJAECGH-CCEZHUSRSA-N
MW237.39 g/mol
LogP2.71
Rot. Bonds3

About 1-(4-cyclohexylpiperazin-1-yl)butan-1-imine

1-(4-cyclohexylpiperazin-1-yl)butan-1-imine (PubChem CID 89336941) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-(4-cyclohexylpiperazin-1-yl)butan-1-imine.

Molecular Properties

Compound Name1-(4-cyclohexylpiperazin-1-yl)butan-1-imine
PubChem CID89336941
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name1-(4-cyclohexylpiperazin-1-yl)butan-1-imine
SMILES[H]/N=C(\CCC)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C14H27N3/c1-2-6-14(15)17-11-9-16(10-12-17)13-7-4-3-5-8-13/h13,15H,2-12H2,1H3/b15-14+
InChIKeyNOCNVEZCJAECGH-CCEZHUSRSA-N
XLogP2.71
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.71
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

1-(4-Methylpiperazin-1-yl)pentan-1-imine
CID 12283374
1-Methylpiperidine-2-carboximidamide
CID 42614744
N-Cyclohexyl-N-methylethanimidamide
CID 53432262
N,N-dicyclohexylethanimidamide
CID 53437350
1-ethanimidoyl-N,N-dimethylpiperidin-4-amine
CID 59020704
N-methyl-N-(1-methylpiperidin-4-yl)ethanimidamide
CID 59020786
N-methyl-N-(2-piperidin-1-ylethyl)ethanimidamide
CID 59020810
1-[4-(1-Methylpiperidin-4-yl)piperazin-1-yl]ethanimine
CID 60082548
1-Propan-2-ylpiperidin-2-imine
CID 61523047
1-(4-Ethylpiperazin-1-yl)butan-1-imine
CID 63178412
N-cyclohexyl-N-methylpropanimidamide
CID 63178469
1-(4-Methylpiperazin-1-yl)butan-1-imine
CID 63178580

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexylpiperazin-1-yl)butan-1-imine?
The IUPAC name of 1-(4-cyclohexylpiperazin-1-yl)butan-1-imine (CID 89336941) is 1-(4-cyclohexylpiperazin-1-yl)butan-1-imine.
What is the SMILES notation for 1-(4-cyclohexylpiperazin-1-yl)butan-1-imine?
The canonical SMILES for 1-(4-cyclohexylpiperazin-1-yl)butan-1-imine is [H]/N=C(\CCC)N1CCN(C2CCCCC2)CC1.
What is the InChIKey of 1-(4-cyclohexylpiperazin-1-yl)butan-1-imine?
The InChIKey is NOCNVEZCJAECGH-CCEZHUSRSA-N. The full InChI is InChI=1S/C14H27N3/c1-2-6-14(15)17-11-9-16(10-12-17)13-7-4-3-5-8-13/h13,15H,2-12H2,1H3/b15-14+.
What are the key properties of 1-(4-cyclohexylpiperazin-1-yl)butan-1-imine?
1-(4-cyclohexylpiperazin-1-yl)butan-1-imine has a molecular weight of 237.39 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexylpiperazin-1-yl)butan-1-imine is sourced from PubChem (CID 89336941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).