N-methyl-1-[4-[(4-methylpiperidin-1-yl)methyl]oxan-4-yl]methanamine

C14H28N2O — CID 62391983

IUPACN-methyl-1-[4-[(4-methylpiperidin-1-yl)methyl]oxan-4-yl]methanamine
SMILESCNCC1(CN2CCC(C)CC2)CCOCC1
InChIInChI=1S/C14H28N2O/c1-13-3-7-16(8-4-13)12-14(11-15-2)5-9-17-10-6-14/h13,15H,3-12H2,1-2H3
InChIKeySPFOVRIBTGFWJF-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.73
Rot. Bonds4

About N-methyl-1-[4-[(4-methylpiperidin-1-yl)methyl]oxan-4-yl]methanamine

N-methyl-1-[4-[(4-methylpiperidin-1-yl)methyl]oxan-4-yl]methanamine (PubChem CID 62391983) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-methyl-1-[4-[(4-methylpiperidin-1-yl)methyl]oxan-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-[(4-methylpiperidin-1-yl)methyl]oxan-4-yl]methanamine
PubChem CID62391983
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-methyl-1-[4-[(4-methylpiperidin-1-yl)methyl]oxan-4-yl]methanamine
SMILESCNCC1(CN2CCC(C)CC2)CCOCC1
InChIInChI=1S/C14H28N2O/c1-13-3-7-16(8-4-13)12-14(11-15-2)5-9-17-10-6-14/h13,15H,3-12H2,1-2H3
InChIKeySPFOVRIBTGFWJF-UHFFFAOYSA-N
XLogP1.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-[(4-methylpiperidin-1-yl)methyl]oxan-4-yl]methanamine?
The IUPAC name of N-methyl-1-[4-[(4-methylpiperidin-1-yl)methyl]oxan-4-yl]methanamine (CID 62391983) is N-methyl-1-[4-[(4-methylpiperidin-1-yl)methyl]oxan-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[4-[(4-methylpiperidin-1-yl)methyl]oxan-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[4-[(4-methylpiperidin-1-yl)methyl]oxan-4-yl]methanamine is CNCC1(CN2CCC(C)CC2)CCOCC1.
What is the InChIKey of N-methyl-1-[4-[(4-methylpiperidin-1-yl)methyl]oxan-4-yl]methanamine?
The InChIKey is SPFOVRIBTGFWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-13-3-7-16(8-4-13)12-14(11-15-2)5-9-17-10-6-14/h13,15H,3-12H2,1-2H3.
What are the key properties of N-methyl-1-[4-[(4-methylpiperidin-1-yl)methyl]oxan-4-yl]methanamine?
N-methyl-1-[4-[(4-methylpiperidin-1-yl)methyl]oxan-4-yl]methanamine has a molecular weight of 240.39 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-[(4-methylpiperidin-1-yl)methyl]oxan-4-yl]methanamine is sourced from PubChem (CID 62391983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).