2-(4-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine

C14H28N2O — CID 62557461

IUPAC2-(4-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine
SMILESCC1CCN(C(C)CNCC2CCCO2)CC1
InChIInChI=1S/C14H28N2O/c1-12-5-7-16(8-6-12)13(2)10-15-11-14-4-3-9-17-14/h12-15H,3-11H2,1-2H3
InChIKeyIBBJHUVSDXAAOZ-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.88
Rot. Bonds5

About 2-(4-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine

2-(4-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine (PubChem CID 62557461) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-(4-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-(4-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine
PubChem CID62557461
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name2-(4-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine
SMILESCC1CCN(C(C)CNCC2CCCO2)CC1
InChIInChI=1S/C14H28N2O/c1-12-5-7-16(8-6-12)13(2)10-15-11-14-4-3-9-17-14/h12-15H,3-11H2,1-2H3
InChIKeyIBBJHUVSDXAAOZ-UHFFFAOYSA-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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Related Compounds

2-(4-methylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 55088990
2-(4-cyclopropylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 55087769
2-(8-azaspiro[4.5]decan-8-yl)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 63163669
2-(3-ethylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 62569537
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 63192699
3-(4-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 113219606
(2R)-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]pentan-1-amine
CID 28619216
2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 62566084
2-N-ethyl-1-N,2-N-bis(oxolan-2-ylmethyl)propane-1,2-diamine
CID 62568854
2-(4-methylpiperidin-1-yl)-N-prop-2-enylpropan-1-amine
CID 62556941
4-methyl-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide
CID 75864044
N-(oxan-4-ylmethyl)-2-piperidin-1-ylpropan-1-amine
CID 55066116

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine?
The IUPAC name of 2-(4-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine (CID 62557461) is 2-(4-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-(4-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine?
The canonical SMILES for 2-(4-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine is CC1CCN(C(C)CNCC2CCCO2)CC1.
What is the InChIKey of 2-(4-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine?
The InChIKey is IBBJHUVSDXAAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-12-5-7-16(8-6-12)13(2)10-15-11-14-4-3-9-17-14/h12-15H,3-11H2,1-2H3.
What are the key properties of 2-(4-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine?
2-(4-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)propan-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 2-(4-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 62557461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).