N-[2-(1-methylpiperidin-4-yl)ethyl]oxolan-3-amine

C12H24N2O — CID 115689075

IUPACN-[2-(1-methylpiperidin-4-yl)ethyl]oxolan-3-amine
SMILESCN1CCC(CCNC2CCOC2)CC1
InChIInChI=1S/C12H24N2O/c1-14-7-3-11(4-8-14)2-6-13-12-5-9-15-10-12/h11-13H,2-10H2,1H3
InChIKeyBTDYUGHFVNJUBU-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.10
Rot. Bonds4

About N-[2-(1-methylpiperidin-4-yl)ethyl]oxolan-3-amine

N-[2-(1-methylpiperidin-4-yl)ethyl]oxolan-3-amine (PubChem CID 115689075) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N-[2-(1-methylpiperidin-4-yl)ethyl]oxolan-3-amine.

Molecular Properties

Compound NameN-[2-(1-methylpiperidin-4-yl)ethyl]oxolan-3-amine
PubChem CID115689075
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN-[2-(1-methylpiperidin-4-yl)ethyl]oxolan-3-amine
SMILESCN1CCC(CCNC2CCOC2)CC1
InChIInChI=1S/C12H24N2O/c1-14-7-3-11(4-8-14)2-6-13-12-5-9-15-10-12/h11-13H,2-10H2,1H3
InChIKeyBTDYUGHFVNJUBU-UHFFFAOYSA-N
XLogP1.10
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Ethyl-2-(morpholin-4-yl)pentan-1-amine
CID 16228000
1-(Oxolan-3-yl)piperidin-4-amine
CID 63333556
N-{[1-(2-Methoxyethyl)pyrrolidin-3-YL]methyl}-N-methylpiperidin-4-amine
CID 56700791
N-methyl-1-((oxolan-3-yl)methyl)piperidin-4-amine dihydrochloride
CID 54594204
1-Methyl-decahydropyrido[3,4-E][1,4]oxazepine
CID 86820386
(5aS,9aS)-1-(2-methoxyethyl)decahydropyrido[3,4-e][1,4]oxazepine
CID 86820389
(2S,3S)-3-methyl-1-morpholin-4-ylpentan-2-amine
CID 28406548
N-(piperidin-4-ylmethyl)-N-(tetrahydrofuran-2-ylmethyl)ethanamine
CID 56828683
1-(Oxolan-3-ylmethyl)piperidin-4-amine
CID 18001793
N-methyl-1-(oxolan-3-ylmethyl)piperidin-4-amine
CID 54594205
(3R,4S)-3-fluoro-1,4-dimethyl-5-[(3R)-pyrrolidin-3-yl]oxypiperidine
CID 163829316
(3S)-3-fluoro-1-(oxolan-3-yl)-N-propan-2-ylpiperidin-4-amine
CID 169632603

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpiperidin-4-yl)ethyl]oxolan-3-amine?
The IUPAC name of N-[2-(1-methylpiperidin-4-yl)ethyl]oxolan-3-amine (CID 115689075) is N-[2-(1-methylpiperidin-4-yl)ethyl]oxolan-3-amine.
What is the SMILES notation for N-[2-(1-methylpiperidin-4-yl)ethyl]oxolan-3-amine?
The canonical SMILES for N-[2-(1-methylpiperidin-4-yl)ethyl]oxolan-3-amine is CN1CCC(CCNC2CCOC2)CC1.
What is the InChIKey of N-[2-(1-methylpiperidin-4-yl)ethyl]oxolan-3-amine?
The InChIKey is BTDYUGHFVNJUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-14-7-3-11(4-8-14)2-6-13-12-5-9-15-10-12/h11-13H,2-10H2,1H3.
What are the key properties of N-[2-(1-methylpiperidin-4-yl)ethyl]oxolan-3-amine?
N-[2-(1-methylpiperidin-4-yl)ethyl]oxolan-3-amine has a molecular weight of 212.34 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpiperidin-4-yl)ethyl]oxolan-3-amine is sourced from PubChem (CID 115689075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).