N,2,2-trimethyl-N-(oxan-4-yl)piperidin-4-amine

C13H26N2O — CID 115145457

IUPACN,2,2-trimethyl-N-(oxan-4-yl)piperidin-4-amine
SMILESCN(C1CCOCC1)C1CCNC(C)(C)C1
InChIInChI=1S/C13H26N2O/c1-13(2)10-12(4-7-14-13)15(3)11-5-8-16-9-6-11/h11-12,14H,4-10H2,1-3H3
InChIKeyQRMXNPJMKXADMA-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.63
Rot. Bonds2

About N,2,2-trimethyl-N-(oxan-4-yl)piperidin-4-amine

N,2,2-trimethyl-N-(oxan-4-yl)piperidin-4-amine (PubChem CID 115145457) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N,2,2-trimethyl-N-(oxan-4-yl)piperidin-4-amine.

Molecular Properties

Compound NameN,2,2-trimethyl-N-(oxan-4-yl)piperidin-4-amine
PubChem CID115145457
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN,2,2-trimethyl-N-(oxan-4-yl)piperidin-4-amine
SMILESCN(C1CCOCC1)C1CCNC(C)(C)C1
InChIInChI=1S/C13H26N2O/c1-13(2)10-12(4-7-14-13)15(3)11-5-8-16-9-6-11/h11-12,14H,4-10H2,1-3H3
InChIKeyQRMXNPJMKXADMA-UHFFFAOYSA-N
XLogP1.63
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-N-(oxan-4-yl)piperidin-4-amine?
The IUPAC name of N,2,2-trimethyl-N-(oxan-4-yl)piperidin-4-amine (CID 115145457) is N,2,2-trimethyl-N-(oxan-4-yl)piperidin-4-amine.
What is the SMILES notation for N,2,2-trimethyl-N-(oxan-4-yl)piperidin-4-amine?
The canonical SMILES for N,2,2-trimethyl-N-(oxan-4-yl)piperidin-4-amine is CN(C1CCOCC1)C1CCNC(C)(C)C1.
What is the InChIKey of N,2,2-trimethyl-N-(oxan-4-yl)piperidin-4-amine?
The InChIKey is QRMXNPJMKXADMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-13(2)10-12(4-7-14-13)15(3)11-5-8-16-9-6-11/h11-12,14H,4-10H2,1-3H3.
What are the key properties of N,2,2-trimethyl-N-(oxan-4-yl)piperidin-4-amine?
N,2,2-trimethyl-N-(oxan-4-yl)piperidin-4-amine has a molecular weight of 226.36 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-N-(oxan-4-yl)piperidin-4-amine is sourced from PubChem (CID 115145457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).