N-[3-(4-methoxyphenyl)cyclobutyl]piperidin-1-amine

C16H24N2O — CID 83007160

IUPACN-[3-(4-methoxyphenyl)cyclobutyl]piperidin-1-amine
SMILESCOc1ccc(C2CC(NN3CCCCC3)C2)cc1
InChIInChI=1S/C16H24N2O/c1-19-16-7-5-13(6-8-16)14-11-15(12-14)17-18-9-3-2-4-10-18/h5-8,14-15,17H,2-4,9-12H2,1H3
InChIKeyKCUNBOXYOLCCKC-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.93
Rot. Bonds4

About N-[3-(4-methoxyphenyl)cyclobutyl]piperidin-1-amine

N-[3-(4-methoxyphenyl)cyclobutyl]piperidin-1-amine (PubChem CID 83007160) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[3-(4-methoxyphenyl)cyclobutyl]piperidin-1-amine.

Molecular Properties

Compound NameN-[3-(4-methoxyphenyl)cyclobutyl]piperidin-1-amine
PubChem CID83007160
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-[3-(4-methoxyphenyl)cyclobutyl]piperidin-1-amine
SMILESCOc1ccc(C2CC(NN3CCCCC3)C2)cc1
InChIInChI=1S/C16H24N2O/c1-19-16-7-5-13(6-8-16)14-11-15(12-14)17-18-9-3-2-4-10-18/h5-8,14-15,17H,2-4,9-12H2,1H3
InChIKeyKCUNBOXYOLCCKC-UHFFFAOYSA-N
XLogP2.93
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methoxyphenyl)cyclobutyl]piperidin-1-amine?
The IUPAC name of N-[3-(4-methoxyphenyl)cyclobutyl]piperidin-1-amine (CID 83007160) is N-[3-(4-methoxyphenyl)cyclobutyl]piperidin-1-amine.
What is the SMILES notation for N-[3-(4-methoxyphenyl)cyclobutyl]piperidin-1-amine?
The canonical SMILES for N-[3-(4-methoxyphenyl)cyclobutyl]piperidin-1-amine is COc1ccc(C2CC(NN3CCCCC3)C2)cc1.
What is the InChIKey of N-[3-(4-methoxyphenyl)cyclobutyl]piperidin-1-amine?
The InChIKey is KCUNBOXYOLCCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-19-16-7-5-13(6-8-16)14-11-15(12-14)17-18-9-3-2-4-10-18/h5-8,14-15,17H,2-4,9-12H2,1H3.
What are the key properties of N-[3-(4-methoxyphenyl)cyclobutyl]piperidin-1-amine?
N-[3-(4-methoxyphenyl)cyclobutyl]piperidin-1-amine has a molecular weight of 260.38 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methoxyphenyl)cyclobutyl]piperidin-1-amine is sourced from PubChem (CID 83007160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).