N,1-dimethyl-N-[2-(oxan-4-yl)ethyl]piperidin-4-amine

C14H28N2O — CID 39741232

IUPACN,1-dimethyl-N-[2-(oxan-4-yl)ethyl]piperidin-4-amine
SMILESCN1CCC(N(C)CCC2CCOCC2)CC1
InChIInChI=1S/C14H28N2O/c1-15-8-4-14(5-9-15)16(2)10-3-13-6-11-17-12-7-13/h13-14H,3-12H2,1-2H3
InChIKeyCMYCJOVGYWRHMR-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.83
Rot. Bonds4

About N,1-dimethyl-N-[2-(oxan-4-yl)ethyl]piperidin-4-amine

N,1-dimethyl-N-[2-(oxan-4-yl)ethyl]piperidin-4-amine (PubChem CID 39741232) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N,1-dimethyl-N-[2-(oxan-4-yl)ethyl]piperidin-4-amine.

Molecular Properties

Compound NameN,1-dimethyl-N-[2-(oxan-4-yl)ethyl]piperidin-4-amine
PubChem CID39741232
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN,1-dimethyl-N-[2-(oxan-4-yl)ethyl]piperidin-4-amine
SMILESCN1CCC(N(C)CCC2CCOCC2)CC1
InChIInChI=1S/C14H28N2O/c1-15-8-4-14(5-9-15)16(2)10-3-13-6-11-17-12-7-13/h13-14H,3-12H2,1-2H3
InChIKeyCMYCJOVGYWRHMR-UHFFFAOYSA-N
XLogP1.83
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-[2-(oxan-4-yl)ethyl]piperidin-4-amine?
The IUPAC name of N,1-dimethyl-N-[2-(oxan-4-yl)ethyl]piperidin-4-amine (CID 39741232) is N,1-dimethyl-N-[2-(oxan-4-yl)ethyl]piperidin-4-amine.
What is the SMILES notation for N,1-dimethyl-N-[2-(oxan-4-yl)ethyl]piperidin-4-amine?
The canonical SMILES for N,1-dimethyl-N-[2-(oxan-4-yl)ethyl]piperidin-4-amine is CN1CCC(N(C)CCC2CCOCC2)CC1.
What is the InChIKey of N,1-dimethyl-N-[2-(oxan-4-yl)ethyl]piperidin-4-amine?
The InChIKey is CMYCJOVGYWRHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-15-8-4-14(5-9-15)16(2)10-3-13-6-11-17-12-7-13/h13-14H,3-12H2,1-2H3.
What are the key properties of N,1-dimethyl-N-[2-(oxan-4-yl)ethyl]piperidin-4-amine?
N,1-dimethyl-N-[2-(oxan-4-yl)ethyl]piperidin-4-amine has a molecular weight of 240.39 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-[2-(oxan-4-yl)ethyl]piperidin-4-amine is sourced from PubChem (CID 39741232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).