1-cyclohexyl-4-(3-isocyanopropyl)piperazine

C14H25N3 — CID 3613896

IUPAC1-cyclohexyl-4-(3-isocyanopropyl)piperazine
SMILES[C-]#[N+]CCCN1CCN(C2CCCCC2)CC1
InChIInChI=1S/C14H25N3/c1-15-8-5-9-16-10-12-17(13-11-16)14-6-3-2-4-7-14/h14H,2-13H2
InChIKeyHHMQZVJCQYDNGE-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.25
Rot. Bonds4

About 1-cyclohexyl-4-(3-isocyanopropyl)piperazine

1-cyclohexyl-4-(3-isocyanopropyl)piperazine (PubChem CID 3613896) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-cyclohexyl-4-(3-isocyanopropyl)piperazine.

Molecular Properties

Compound Name1-cyclohexyl-4-(3-isocyanopropyl)piperazine
PubChem CID3613896
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name1-cyclohexyl-4-(3-isocyanopropyl)piperazine
SMILES[C-]#[N+]CCCN1CCN(C2CCCCC2)CC1
InChIInChI=1S/C14H25N3/c1-15-8-5-9-16-10-12-17(13-11-16)14-6-3-2-4-7-14/h14H,2-13H2
InChIKeyHHMQZVJCQYDNGE-UHFFFAOYSA-N
XLogP2.25
TPSA10.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-(3-isocyanopropyl)piperazine?
The IUPAC name of 1-cyclohexyl-4-(3-isocyanopropyl)piperazine (CID 3613896) is 1-cyclohexyl-4-(3-isocyanopropyl)piperazine.
What is the SMILES notation for 1-cyclohexyl-4-(3-isocyanopropyl)piperazine?
The canonical SMILES for 1-cyclohexyl-4-(3-isocyanopropyl)piperazine is [C-]#[N+]CCCN1CCN(C2CCCCC2)CC1.
What is the InChIKey of 1-cyclohexyl-4-(3-isocyanopropyl)piperazine?
The InChIKey is HHMQZVJCQYDNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-15-8-5-9-16-10-12-17(13-11-16)14-6-3-2-4-7-14/h14H,2-13H2.
What are the key properties of 1-cyclohexyl-4-(3-isocyanopropyl)piperazine?
1-cyclohexyl-4-(3-isocyanopropyl)piperazine has a molecular weight of 235.37 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-(3-isocyanopropyl)piperazine is sourced from PubChem (CID 3613896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).