N-ethyl-N-(oxolan-2-ylmethyl)-2-piperazin-1-ylethanamine

C13H27N3O — CID 54983931

IUPACN-ethyl-N-(oxolan-2-ylmethyl)-2-piperazin-1-ylethanamine
SMILESCCN(CCN1CCNCC1)CC1CCCO1
InChIInChI=1S/C13H27N3O/c1-2-15(12-13-4-3-11-17-13)9-10-16-7-5-14-6-8-16/h13-14H,2-12H2,1H3
InChIKeyTXZCQXYIKAVAQL-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.39
Rot. Bonds6

About N-ethyl-N-(oxolan-2-ylmethyl)-2-piperazin-1-ylethanamine

N-ethyl-N-(oxolan-2-ylmethyl)-2-piperazin-1-ylethanamine (PubChem CID 54983931) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is N-ethyl-N-(oxolan-2-ylmethyl)-2-piperazin-1-ylethanamine.

Molecular Properties

Compound NameN-ethyl-N-(oxolan-2-ylmethyl)-2-piperazin-1-ylethanamine
PubChem CID54983931
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC NameN-ethyl-N-(oxolan-2-ylmethyl)-2-piperazin-1-ylethanamine
SMILESCCN(CCN1CCNCC1)CC1CCCO1
InChIInChI=1S/C13H27N3O/c1-2-15(12-13-4-3-11-17-13)9-10-16-7-5-14-6-8-16/h13-14H,2-12H2,1H3
InChIKeyTXZCQXYIKAVAQL-UHFFFAOYSA-N
XLogP0.39
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[ethyl(oxolan-2-ylmethyl)amino]ethyl]-N',N'-dimethylethane-1,2-diamine
CID 62554036
(2S)-N-methyl-N-(2-piperazin-1-ylethyl)oxolane-2-carboxamide
CID 104856250
N-methyl-N-(2-piperazin-1-ylethyl)oxolane-2-carboxamide
CID 63265290
methyl 4-[ethyl(oxolan-2-ylmethyl)amino]butanoate
CID 61434381
1-(oxan-2-ylmethyl)piperazine
CID 14981447
N-ethyl-N-(oxolan-2-ylmethyl)-2-piperazin-1-ylpropanamide
CID 61435034
N-(oxolan-2-ylmethyl)-N-propylpiperidin-4-amine
CID 60806655
N-methyl-N-[(4-methylmorpholin-2-yl)methyl]-2-piperazin-1-ylethanamine
CID 79182703
N',2-diethyl-N'-(oxolan-2-ylmethyl)butane-1,4-diamine
CID 81079200
5-[ethyl(oxolan-2-ylmethyl)amino]-2,2-dimethylpentanethioamide
CID 65260037
N'-ethyl-N-(4-methylcyclohexyl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 55090223
N'-ethyl-N-(2-methoxyethyl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 62574226

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(oxolan-2-ylmethyl)-2-piperazin-1-ylethanamine?
The IUPAC name of N-ethyl-N-(oxolan-2-ylmethyl)-2-piperazin-1-ylethanamine (CID 54983931) is N-ethyl-N-(oxolan-2-ylmethyl)-2-piperazin-1-ylethanamine.
What is the SMILES notation for N-ethyl-N-(oxolan-2-ylmethyl)-2-piperazin-1-ylethanamine?
The canonical SMILES for N-ethyl-N-(oxolan-2-ylmethyl)-2-piperazin-1-ylethanamine is CCN(CCN1CCNCC1)CC1CCCO1.
What is the InChIKey of N-ethyl-N-(oxolan-2-ylmethyl)-2-piperazin-1-ylethanamine?
The InChIKey is TXZCQXYIKAVAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-2-15(12-13-4-3-11-17-13)9-10-16-7-5-14-6-8-16/h13-14H,2-12H2,1H3.
What are the key properties of N-ethyl-N-(oxolan-2-ylmethyl)-2-piperazin-1-ylethanamine?
N-ethyl-N-(oxolan-2-ylmethyl)-2-piperazin-1-ylethanamine has a molecular weight of 241.38 g/mol, XLogP of 0.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(oxolan-2-ylmethyl)-2-piperazin-1-ylethanamine is sourced from PubChem (CID 54983931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).