N-methyl-2-(4-piperidin-4-yloxycyclohexyl)ethanamine

C14H28N2O — CID 171641847

IUPACN-methyl-2-(4-piperidin-4-yloxycyclohexyl)ethanamine
SMILESCNCCC1CCC(OC2CCNCC2)CC1
InChIInChI=1S/C14H28N2O/c1-15-9-6-12-2-4-13(5-3-12)17-14-7-10-16-11-8-14/h12-16H,2-11H2,1H3
InChIKeyASJGHAQUOAHQFF-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.92
Rot. Bonds5

About N-methyl-2-(4-piperidin-4-yloxycyclohexyl)ethanamine

N-methyl-2-(4-piperidin-4-yloxycyclohexyl)ethanamine (PubChem CID 171641847) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-methyl-2-(4-piperidin-4-yloxycyclohexyl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(4-piperidin-4-yloxycyclohexyl)ethanamine
PubChem CID171641847
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-methyl-2-(4-piperidin-4-yloxycyclohexyl)ethanamine
SMILESCNCCC1CCC(OC2CCNCC2)CC1
InChIInChI=1S/C14H28N2O/c1-15-9-6-12-2-4-13(5-3-12)17-14-7-10-16-11-8-14/h12-16H,2-11H2,1H3
InChIKeyASJGHAQUOAHQFF-UHFFFAOYSA-N
XLogP1.92
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-piperidin-4-yloxycyclohexyl)ethanamine?
The IUPAC name of N-methyl-2-(4-piperidin-4-yloxycyclohexyl)ethanamine (CID 171641847) is N-methyl-2-(4-piperidin-4-yloxycyclohexyl)ethanamine.
What is the SMILES notation for N-methyl-2-(4-piperidin-4-yloxycyclohexyl)ethanamine?
The canonical SMILES for N-methyl-2-(4-piperidin-4-yloxycyclohexyl)ethanamine is CNCCC1CCC(OC2CCNCC2)CC1.
What is the InChIKey of N-methyl-2-(4-piperidin-4-yloxycyclohexyl)ethanamine?
The InChIKey is ASJGHAQUOAHQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-15-9-6-12-2-4-13(5-3-12)17-14-7-10-16-11-8-14/h12-16H,2-11H2,1H3.
What are the key properties of N-methyl-2-(4-piperidin-4-yloxycyclohexyl)ethanamine?
N-methyl-2-(4-piperidin-4-yloxycyclohexyl)ethanamine has a molecular weight of 240.39 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-piperidin-4-yloxycyclohexyl)ethanamine is sourced from PubChem (CID 171641847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).