N-(piperidin-4-ylmethyl)cyclopropanimine

C9H16N2 — CID 163953059

IUPACN-(piperidin-4-ylmethyl)cyclopropanimine
SMILESC1CC(CN=C2CC2)CCN1
InChIInChI=1S/C9H16N2/c1-2-9(1)11-7-8-3-5-10-6-4-8/h8,10H,1-7H2
InChIKeySAZVFAIAKWGKQF-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.22
Rot. Bonds2

About N-(piperidin-4-ylmethyl)cyclopropanimine

N-(piperidin-4-ylmethyl)cyclopropanimine (PubChem CID 163953059) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is N-(piperidin-4-ylmethyl)cyclopropanimine.

Molecular Properties

Compound NameN-(piperidin-4-ylmethyl)cyclopropanimine
PubChem CID163953059
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC NameN-(piperidin-4-ylmethyl)cyclopropanimine
SMILESC1CC(CN=C2CC2)CCN1
InChIInChI=1S/C9H16N2/c1-2-9(1)11-7-8-3-5-10-6-4-8/h8,10H,1-7H2
InChIKeySAZVFAIAKWGKQF-UHFFFAOYSA-N
XLogP1.22
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(piperidin-4-ylmethyl)cyclopropanimine?
The IUPAC name of N-(piperidin-4-ylmethyl)cyclopropanimine (CID 163953059) is N-(piperidin-4-ylmethyl)cyclopropanimine.
What is the SMILES notation for N-(piperidin-4-ylmethyl)cyclopropanimine?
The canonical SMILES for N-(piperidin-4-ylmethyl)cyclopropanimine is C1CC(CN=C2CC2)CCN1.
What is the InChIKey of N-(piperidin-4-ylmethyl)cyclopropanimine?
The InChIKey is SAZVFAIAKWGKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-2-9(1)11-7-8-3-5-10-6-4-8/h8,10H,1-7H2.
What are the key properties of N-(piperidin-4-ylmethyl)cyclopropanimine?
N-(piperidin-4-ylmethyl)cyclopropanimine has a molecular weight of 152.24 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-4-ylmethyl)cyclopropanimine is sourced from PubChem (CID 163953059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).