1-[(3-benzylcyclobutyl)methyl]piperazine

C16H24N2 — CID 173344354

IUPAC1-[(3-benzylcyclobutyl)methyl]piperazine
SMILESc1ccc(CC2CC(CN3CCNCC3)C2)cc1
InChIInChI=1S/C16H24N2/c1-2-4-14(5-3-1)10-15-11-16(12-15)13-18-8-6-17-7-9-18/h1-5,15-17H,6-13H2
InChIKeyAJVCYGWNYFIQBU-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.16
Rot. Bonds4

About 1-[(3-benzylcyclobutyl)methyl]piperazine

1-[(3-benzylcyclobutyl)methyl]piperazine (PubChem CID 173344354) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-[(3-benzylcyclobutyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(3-benzylcyclobutyl)methyl]piperazine
PubChem CID173344354
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name1-[(3-benzylcyclobutyl)methyl]piperazine
SMILESc1ccc(CC2CC(CN3CCNCC3)C2)cc1
InChIInChI=1S/C16H24N2/c1-2-4-14(5-3-1)10-15-11-16(12-15)13-18-8-6-17-7-9-18/h1-5,15-17H,6-13H2
InChIKeyAJVCYGWNYFIQBU-UHFFFAOYSA-N
XLogP2.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-benzyl-4-(pyrrolidin-3-ylmethyl)piperazine;dihydrochloride
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4-[(4-fluorophenyl)methyl]-1-(piperidin-4-ylmethyl)piperidine;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 1-[(3-benzylcyclobutyl)methyl]piperazine?
The IUPAC name of 1-[(3-benzylcyclobutyl)methyl]piperazine (CID 173344354) is 1-[(3-benzylcyclobutyl)methyl]piperazine.
What is the SMILES notation for 1-[(3-benzylcyclobutyl)methyl]piperazine?
The canonical SMILES for 1-[(3-benzylcyclobutyl)methyl]piperazine is c1ccc(CC2CC(CN3CCNCC3)C2)cc1.
What is the InChIKey of 1-[(3-benzylcyclobutyl)methyl]piperazine?
The InChIKey is AJVCYGWNYFIQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-2-4-14(5-3-1)10-15-11-16(12-15)13-18-8-6-17-7-9-18/h1-5,15-17H,6-13H2.
What are the key properties of 1-[(3-benzylcyclobutyl)methyl]piperazine?
1-[(3-benzylcyclobutyl)methyl]piperazine has a molecular weight of 244.38 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-benzylcyclobutyl)methyl]piperazine is sourced from PubChem (CID 173344354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).