1-(3-piperidin-4-ylphenyl)cyclobutan-1-amine

C15H22N2 — CID 117333021

IUPAC1-(3-piperidin-4-ylphenyl)cyclobutan-1-amine
SMILESNC1(c2cccc(C3CCNCC3)c2)CCC1
InChIInChI=1S/C15H22N2/c16-15(7-2-8-15)14-4-1-3-13(11-14)12-5-9-17-10-6-12/h1,3-4,11-12,17H,2,5-10,16H2
InChIKeySFKAQSSUUPDIKZ-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.49
Rot. Bonds2

About 1-(3-piperidin-4-ylphenyl)cyclobutan-1-amine

1-(3-piperidin-4-ylphenyl)cyclobutan-1-amine (PubChem CID 117333021) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 1-(3-piperidin-4-ylphenyl)cyclobutan-1-amine.

Molecular Properties

Compound Name1-(3-piperidin-4-ylphenyl)cyclobutan-1-amine
PubChem CID117333021
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name1-(3-piperidin-4-ylphenyl)cyclobutan-1-amine
SMILESNC1(c2cccc(C3CCNCC3)c2)CCC1
InChIInChI=1S/C15H22N2/c16-15(7-2-8-15)14-4-1-3-13(11-14)12-5-9-17-10-6-12/h1,3-4,11-12,17H,2,5-10,16H2
InChIKeySFKAQSSUUPDIKZ-UHFFFAOYSA-N
XLogP2.49
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-piperidin-4-ylphenyl)cyclobutan-1-amine?
The IUPAC name of 1-(3-piperidin-4-ylphenyl)cyclobutan-1-amine (CID 117333021) is 1-(3-piperidin-4-ylphenyl)cyclobutan-1-amine.
What is the SMILES notation for 1-(3-piperidin-4-ylphenyl)cyclobutan-1-amine?
The canonical SMILES for 1-(3-piperidin-4-ylphenyl)cyclobutan-1-amine is NC1(c2cccc(C3CCNCC3)c2)CCC1.
What is the InChIKey of 1-(3-piperidin-4-ylphenyl)cyclobutan-1-amine?
The InChIKey is SFKAQSSUUPDIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c16-15(7-2-8-15)14-4-1-3-13(11-14)12-5-9-17-10-6-12/h1,3-4,11-12,17H,2,5-10,16H2.
What are the key properties of 1-(3-piperidin-4-ylphenyl)cyclobutan-1-amine?
1-(3-piperidin-4-ylphenyl)cyclobutan-1-amine has a molecular weight of 230.35 g/mol, XLogP of 2.49, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-piperidin-4-ylphenyl)cyclobutan-1-amine is sourced from PubChem (CID 117333021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).