N-cyclobutyl-N-(naphthalen-2-ylmethyl)piperidin-4-amine

C20H26N2 — CID 44592196

IUPACN-cyclobutyl-N-(naphthalen-2-ylmethyl)piperidin-4-amine
SMILESc1ccc2cc(CN(C3CCC3)C3CCNCC3)ccc2c1
InChIInChI=1S/C20H26N2/c1-2-5-18-14-16(8-9-17(18)4-1)15-22(19-6-3-7-19)20-10-12-21-13-11-20/h1-2,4-5,8-9,14,19-21H,3,6-7,10-13,15H2
InChIKeyWDAYPJKNBZKLPA-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.95
Rot. Bonds4

About N-cyclobutyl-N-(naphthalen-2-ylmethyl)piperidin-4-amine

N-cyclobutyl-N-(naphthalen-2-ylmethyl)piperidin-4-amine (PubChem CID 44592196) has the molecular formula C20H26N2 and a molecular weight of 294.44 g/mol. Its IUPAC name is N-cyclobutyl-N-(naphthalen-2-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-cyclobutyl-N-(naphthalen-2-ylmethyl)piperidin-4-amine
PubChem CID44592196
Molecular FormulaC20H26N2
Molecular Weight294.44 g/mol
Exact Mass294.21
IUPAC NameN-cyclobutyl-N-(naphthalen-2-ylmethyl)piperidin-4-amine
SMILESc1ccc2cc(CN(C3CCC3)C3CCNCC3)ccc2c1
InChIInChI=1S/C20H26N2/c1-2-5-18-14-16(8-9-17(18)4-1)15-22(19-6-3-7-19)20-10-12-21-13-11-20/h1-2,4-5,8-9,14,19-21H,3,6-7,10-13,15H2
InChIKeyWDAYPJKNBZKLPA-UHFFFAOYSA-N
XLogP3.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-N-(naphthalen-2-ylmethyl)piperidin-4-amine?
The IUPAC name of N-cyclobutyl-N-(naphthalen-2-ylmethyl)piperidin-4-amine (CID 44592196) is N-cyclobutyl-N-(naphthalen-2-ylmethyl)piperidin-4-amine.
What is the SMILES notation for N-cyclobutyl-N-(naphthalen-2-ylmethyl)piperidin-4-amine?
The canonical SMILES for N-cyclobutyl-N-(naphthalen-2-ylmethyl)piperidin-4-amine is c1ccc2cc(CN(C3CCC3)C3CCNCC3)ccc2c1.
What is the InChIKey of N-cyclobutyl-N-(naphthalen-2-ylmethyl)piperidin-4-amine?
The InChIKey is WDAYPJKNBZKLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2/c1-2-5-18-14-16(8-9-17(18)4-1)15-22(19-6-3-7-19)20-10-12-21-13-11-20/h1-2,4-5,8-9,14,19-21H,3,6-7,10-13,15H2.
What are the key properties of N-cyclobutyl-N-(naphthalen-2-ylmethyl)piperidin-4-amine?
N-cyclobutyl-N-(naphthalen-2-ylmethyl)piperidin-4-amine has a molecular weight of 294.44 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-N-(naphthalen-2-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 44592196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).