1,3-dimethyl-N-[2-(oxolan-2-yl)ethyl]piperidin-4-amine

C13H26N2O — CID 115708963

IUPAC1,3-dimethyl-N-[2-(oxolan-2-yl)ethyl]piperidin-4-amine
SMILESCC1CN(C)CCC1NCCC1CCCO1
InChIInChI=1S/C13H26N2O/c1-11-10-15(2)8-6-13(11)14-7-5-12-4-3-9-16-12/h11-14H,3-10H2,1-2H3
InChIKeyJZZAIAFHTXSNBH-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.49
Rot. Bonds4

About 1,3-dimethyl-N-[2-(oxolan-2-yl)ethyl]piperidin-4-amine

1,3-dimethyl-N-[2-(oxolan-2-yl)ethyl]piperidin-4-amine (PubChem CID 115708963) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 1,3-dimethyl-N-[2-(oxolan-2-yl)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1,3-dimethyl-N-[2-(oxolan-2-yl)ethyl]piperidin-4-amine
PubChem CID115708963
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name1,3-dimethyl-N-[2-(oxolan-2-yl)ethyl]piperidin-4-amine
SMILESCC1CN(C)CCC1NCCC1CCCO1
InChIInChI=1S/C13H26N2O/c1-11-10-15(2)8-6-13(11)14-7-5-12-4-3-9-16-12/h11-14H,3-10H2,1-2H3
InChIKeyJZZAIAFHTXSNBH-UHFFFAOYSA-N
XLogP1.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1,3-dimethylpiperidin-4-yl)amino]ethanol
CID 115707421
1,3-dimethyl-N-(3-methylbutyl)piperidin-4-amine
CID 115705278
N-[(4-ethylmorpholin-2-yl)methyl]-1,3-dimethylpiperidin-4-amine
CID 113353974
2-methyl-N-[2-(oxolan-2-yl)ethyl]thian-3-amine
CID 79957673
1-(1-methylpiperidin-3-yl)-N-[2-(oxolan-2-yl)ethyl]ethanamine
CID 54917113
1,3-dimethyl-N-(oxetan-3-ylmethyl)piperidin-4-amine
CID 176675930
2-methylsulfanyl-N-[2-(oxolan-2-yl)ethyl]cyclohexan-1-amine
CID 115708973
N-[2-(oxolan-2-yl)ethyl]-2-propan-2-ylcyclohexan-1-amine
CID 81297392
N-[2-(cyclopropylmethoxy)ethyl]-1,3-dimethylpiperidin-4-amine
CID 115718324
1,3-dimethyl-N-(2-propan-2-yloxyethyl)piperidin-4-amine
CID 104584715
N-[(3S,4R)-1,4-dimethylpyrrolidin-3-yl]-1-[(2R)-oxolan-2-yl]methanesulfonamide
CID 129461852
N-(2-ethyloxan-4-yl)-1,3-dimethylpiperidin-4-amine
CID 114503263

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[2-(oxolan-2-yl)ethyl]piperidin-4-amine?
The IUPAC name of 1,3-dimethyl-N-[2-(oxolan-2-yl)ethyl]piperidin-4-amine (CID 115708963) is 1,3-dimethyl-N-[2-(oxolan-2-yl)ethyl]piperidin-4-amine.
What is the SMILES notation for 1,3-dimethyl-N-[2-(oxolan-2-yl)ethyl]piperidin-4-amine?
The canonical SMILES for 1,3-dimethyl-N-[2-(oxolan-2-yl)ethyl]piperidin-4-amine is CC1CN(C)CCC1NCCC1CCCO1.
What is the InChIKey of 1,3-dimethyl-N-[2-(oxolan-2-yl)ethyl]piperidin-4-amine?
The InChIKey is JZZAIAFHTXSNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-11-10-15(2)8-6-13(11)14-7-5-12-4-3-9-16-12/h11-14H,3-10H2,1-2H3.
What are the key properties of 1,3-dimethyl-N-[2-(oxolan-2-yl)ethyl]piperidin-4-amine?
1,3-dimethyl-N-[2-(oxolan-2-yl)ethyl]piperidin-4-amine has a molecular weight of 226.36 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[2-(oxolan-2-yl)ethyl]piperidin-4-amine is sourced from PubChem (CID 115708963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).