2-tert-butyl-1-[(5-methyloxolan-2-yl)methyl]-5-propan-2-ylpiperazine

C17H34N2O — CID 103141252

IUPAC2-tert-butyl-1-[(5-methyloxolan-2-yl)methyl]-5-propan-2-ylpiperazine
SMILESCC1CCC(CN2CC(C(C)C)NCC2C(C)(C)C)O1
InChIInChI=1S/C17H34N2O/c1-12(2)15-11-19(10-14-8-7-13(3)20-14)16(9-18-15)17(4,5)6/h12-16,18H,7-11H2,1-6H3
InChIKeyHCBBOLAVXKBZMO-UHFFFAOYSA-N
MW282.47 g/mol
LogP2.90
Rot. Bonds3

About 2-tert-butyl-1-[(5-methyloxolan-2-yl)methyl]-5-propan-2-ylpiperazine

2-tert-butyl-1-[(5-methyloxolan-2-yl)methyl]-5-propan-2-ylpiperazine (PubChem CID 103141252) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 2-tert-butyl-1-[(5-methyloxolan-2-yl)methyl]-5-propan-2-ylpiperazine.

Molecular Properties

Compound Name2-tert-butyl-1-[(5-methyloxolan-2-yl)methyl]-5-propan-2-ylpiperazine
PubChem CID103141252
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name2-tert-butyl-1-[(5-methyloxolan-2-yl)methyl]-5-propan-2-ylpiperazine
SMILESCC1CCC(CN2CC(C(C)C)NCC2C(C)(C)C)O1
InChIInChI=1S/C17H34N2O/c1-12(2)15-11-19(10-14-8-7-13(3)20-14)16(9-18-15)17(4,5)6/h12-16,18H,7-11H2,1-6H3
InChIKeyHCBBOLAVXKBZMO-UHFFFAOYSA-N
XLogP2.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[2-[(2S,4S)-4-fluoro-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidin-1-yl]ethyl]-1-propan-2-ylpiperazine
CID 169907033
N-(oxolan-2-ylmethyl)-2-[3-(trifluoromethyl)piperidin-1-yl]propan-1-amine
CID 62556592
N-(oxolan-2-ylmethyl)-2-[4-(trifluoromethyl)piperidin-1-yl]propan-1-amine
CID 65532881
(2R)-3-methyl-1-N-[[(2R)-oxolan-2-yl]methyl]butane-1,2-diamine
CID 89339942
1-(2-methylpropyl)-N-(oxolan-2-ylmethyl)piperidin-4-amine
CID 103775787
4-[2-[1-(1-Methylpyrrolidin-2-yl)ethoxy]ethyl]piperidine
CID 117739493
1-[[(2S,3S,4S,5S)-4-butan-2-yl-3,4,5-trimethyloxolan-2-yl]methyl]piperazine
CID 117980026
1-hexyl-4-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]piperidin-3-amine
CID 130280381
2-(2,2-Dimethylpropyl)-6-(4-piperazin-1-ylbutyl)morpholine
CID 134505923
1,2-dimethylpiperidine;ethane;N-methyl-1-(oxolan-2-yl)methanamine;1,3,5-trimethylpiperidine
CID 143283923
4-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-1-pentan-2-ylpiperidin-3-amine
CID 156302528
ethane;1-ethyl-N-(oxolan-2-ylmethyl)piperidin-4-amine
CID 163266645

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-[(5-methyloxolan-2-yl)methyl]-5-propan-2-ylpiperazine?
The IUPAC name of 2-tert-butyl-1-[(5-methyloxolan-2-yl)methyl]-5-propan-2-ylpiperazine (CID 103141252) is 2-tert-butyl-1-[(5-methyloxolan-2-yl)methyl]-5-propan-2-ylpiperazine.
What is the SMILES notation for 2-tert-butyl-1-[(5-methyloxolan-2-yl)methyl]-5-propan-2-ylpiperazine?
The canonical SMILES for 2-tert-butyl-1-[(5-methyloxolan-2-yl)methyl]-5-propan-2-ylpiperazine is CC1CCC(CN2CC(C(C)C)NCC2C(C)(C)C)O1.
What is the InChIKey of 2-tert-butyl-1-[(5-methyloxolan-2-yl)methyl]-5-propan-2-ylpiperazine?
The InChIKey is HCBBOLAVXKBZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-12(2)15-11-19(10-14-8-7-13(3)20-14)16(9-18-15)17(4,5)6/h12-16,18H,7-11H2,1-6H3.
What are the key properties of 2-tert-butyl-1-[(5-methyloxolan-2-yl)methyl]-5-propan-2-ylpiperazine?
2-tert-butyl-1-[(5-methyloxolan-2-yl)methyl]-5-propan-2-ylpiperazine has a molecular weight of 282.47 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-[(5-methyloxolan-2-yl)methyl]-5-propan-2-ylpiperazine is sourced from PubChem (CID 103141252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).