(2S)-N-methyl-3-(oxan-4-yl)-2-piperidin-1-ylpropan-1-amine

C14H28N2O — CID 90834149

IUPAC(2S)-N-methyl-3-(oxan-4-yl)-2-piperidin-1-ylpropan-1-amine
SMILESCNC[C@H](CC1CCOCC1)N1CCCCC1
InChIInChI=1S/C14H28N2O/c1-15-12-14(16-7-3-2-4-8-16)11-13-5-9-17-10-6-13/h13-15H,2-12H2,1H3/t14-/m0/s1
InChIKeyUGGARANAUNUFOR-AWEZNQCLSA-N
MW240.39 g/mol
LogP1.88
Rot. Bonds5

About (2S)-N-methyl-3-(oxan-4-yl)-2-piperidin-1-ylpropan-1-amine

(2S)-N-methyl-3-(oxan-4-yl)-2-piperidin-1-ylpropan-1-amine (PubChem CID 90834149) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is (2S)-N-methyl-3-(oxan-4-yl)-2-piperidin-1-ylpropan-1-amine.

Molecular Properties

Compound Name(2S)-N-methyl-3-(oxan-4-yl)-2-piperidin-1-ylpropan-1-amine
PubChem CID90834149
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name(2S)-N-methyl-3-(oxan-4-yl)-2-piperidin-1-ylpropan-1-amine
SMILESCNC[C@H](CC1CCOCC1)N1CCCCC1
InChIInChI=1S/C14H28N2O/c1-15-12-14(16-7-3-2-4-8-16)11-13-5-9-17-10-6-13/h13-15H,2-12H2,1H3/t14-/m0/s1
InChIKeyUGGARANAUNUFOR-AWEZNQCLSA-N
XLogP1.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-3-(oxan-4-yl)-2-piperidin-1-ylpropan-1-amine?
The IUPAC name of (2S)-N-methyl-3-(oxan-4-yl)-2-piperidin-1-ylpropan-1-amine (CID 90834149) is (2S)-N-methyl-3-(oxan-4-yl)-2-piperidin-1-ylpropan-1-amine.
What is the SMILES notation for (2S)-N-methyl-3-(oxan-4-yl)-2-piperidin-1-ylpropan-1-amine?
The canonical SMILES for (2S)-N-methyl-3-(oxan-4-yl)-2-piperidin-1-ylpropan-1-amine is CNC[C@H](CC1CCOCC1)N1CCCCC1.
What is the InChIKey of (2S)-N-methyl-3-(oxan-4-yl)-2-piperidin-1-ylpropan-1-amine?
The InChIKey is UGGARANAUNUFOR-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H28N2O/c1-15-12-14(16-7-3-2-4-8-16)11-13-5-9-17-10-6-13/h13-15H,2-12H2,1H3/t14-/m0/s1.
What are the key properties of (2S)-N-methyl-3-(oxan-4-yl)-2-piperidin-1-ylpropan-1-amine?
(2S)-N-methyl-3-(oxan-4-yl)-2-piperidin-1-ylpropan-1-amine has a molecular weight of 240.39 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-3-(oxan-4-yl)-2-piperidin-1-ylpropan-1-amine is sourced from PubChem (CID 90834149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).