1-methyl-N-[(1R)-1-[(3S)-oxolan-3-yl]ethyl]piperidin-4-amine

C12H24N2O — CID 99632337

IUPAC1-methyl-N-[(1R)-1-[(3S)-oxolan-3-yl]ethyl]piperidin-4-amine
SMILESC[C@@H](NC1CCN(C)CC1)[C@@H]1CCOC1
InChIInChI=1S/C12H24N2O/c1-10(11-5-8-15-9-11)13-12-3-6-14(2)7-4-12/h10-13H,3-9H2,1-2H3/t10-,11-/m1/s1
InChIKeyYWOUFBRDUWRXKT-GHMZBOCLSA-N
MW212.34 g/mol
LogP1.10
Rot. Bonds3

About 1-methyl-N-[(1R)-1-[(3S)-oxolan-3-yl]ethyl]piperidin-4-amine

1-methyl-N-[(1R)-1-[(3S)-oxolan-3-yl]ethyl]piperidin-4-amine (PubChem CID 99632337) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-methyl-N-[(1R)-1-[(3S)-oxolan-3-yl]ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-methyl-N-[(1R)-1-[(3S)-oxolan-3-yl]ethyl]piperidin-4-amine
PubChem CID99632337
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-methyl-N-[(1R)-1-[(3S)-oxolan-3-yl]ethyl]piperidin-4-amine
SMILESC[C@@H](NC1CCN(C)CC1)[C@@H]1CCOC1
InChIInChI=1S/C12H24N2O/c1-10(11-5-8-15-9-11)13-12-3-6-14(2)7-4-12/h10-13H,3-9H2,1-2H3/t10-,11-/m1/s1
InChIKeyYWOUFBRDUWRXKT-GHMZBOCLSA-N
XLogP1.10
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

N-[(1S)-1-cyclopentylethyl]-1-methylpiperidin-4-amine
CID 81386748
2,2-dimethyl-1-[4-[1-(oxolan-3-yl)ethylamino]piperidin-1-yl]propan-1-one
CID 115709686
N-[1-(oxolan-3-yl)ethyl]cyclopent-3-en-1-amine
CID 115728380
tert-butyl 4-[1-(oxolan-3-yl)ethylamino]piperidine-1-carboxylate
CID 115677343
1-(4-methylpiperazin-1-yl)-2-[1-(oxolan-3-yl)ethylamino]ethanone
CID 115714222
1-(oxan-4-yl)-N-[1-(oxolan-3-yl)ethyl]ethanamine
CID 115724018
1-cyclopropyl-N-[1-(oxolan-3-yl)ethyl]ethanamine
CID 115677339
4-methyl-N-[1-(oxan-4-yl)ethyl]cyclohexan-1-amine
CID 103901835
3,3,5-trimethyl-N-[1-(oxolan-3-yl)ethyl]cyclohexan-1-amine
CID 115714653
N-[1-(oxolan-3-yl)ethyl]-6-oxaspiro[4.5]decan-9-amine
CID 113263452
2-methyl-1-[4-[1-(1-methylpiperidin-4-yl)ethylamino]piperidin-1-yl]propan-1-one
CID 43747768
3-ethylsulfanyl-N-[1-(oxolan-3-yl)ethyl]cyclopentan-1-amine
CID 115725124

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(1R)-1-[(3S)-oxolan-3-yl]ethyl]piperidin-4-amine?
The IUPAC name of 1-methyl-N-[(1R)-1-[(3S)-oxolan-3-yl]ethyl]piperidin-4-amine (CID 99632337) is 1-methyl-N-[(1R)-1-[(3S)-oxolan-3-yl]ethyl]piperidin-4-amine.
What is the SMILES notation for 1-methyl-N-[(1R)-1-[(3S)-oxolan-3-yl]ethyl]piperidin-4-amine?
The canonical SMILES for 1-methyl-N-[(1R)-1-[(3S)-oxolan-3-yl]ethyl]piperidin-4-amine is C[C@@H](NC1CCN(C)CC1)[C@@H]1CCOC1.
What is the InChIKey of 1-methyl-N-[(1R)-1-[(3S)-oxolan-3-yl]ethyl]piperidin-4-amine?
The InChIKey is YWOUFBRDUWRXKT-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H24N2O/c1-10(11-5-8-15-9-11)13-12-3-6-14(2)7-4-12/h10-13H,3-9H2,1-2H3/t10-,11-/m1/s1.
What are the key properties of 1-methyl-N-[(1R)-1-[(3S)-oxolan-3-yl]ethyl]piperidin-4-amine?
1-methyl-N-[(1R)-1-[(3S)-oxolan-3-yl]ethyl]piperidin-4-amine has a molecular weight of 212.34 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(1R)-1-[(3S)-oxolan-3-yl]ethyl]piperidin-4-amine is sourced from PubChem (CID 99632337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).