4-tert-butyl-1-propan-2-yl-2-propylpiperazine;ethane

C16H36N2 — CID 155690234

IUPAC4-tert-butyl-1-propan-2-yl-2-propylpiperazine;ethane
SMILESCC.CCCC1CN(C(C)(C)C)CCN1C(C)C
InChIInChI=1S/C14H30N2.C2H6/c1-7-8-13-11-15(14(4,5)6)9-10-16(13)12(2)3;1-2/h12-13H,7-11H2,1-6H3;1-2H3
InChIKeyLAOPXVMKLOXMSD-UHFFFAOYSA-N
MW256.48 g/mol
LogP4.01
Rot. Bonds3

About 4-tert-butyl-1-propan-2-yl-2-propylpiperazine;ethane

4-tert-butyl-1-propan-2-yl-2-propylpiperazine;ethane (PubChem CID 155690234) has the molecular formula C16H36N2 and a molecular weight of 256.48 g/mol. Its IUPAC name is 4-tert-butyl-1-propan-2-yl-2-propylpiperazine;ethane.

Molecular Properties

Compound Name4-tert-butyl-1-propan-2-yl-2-propylpiperazine;ethane
PubChem CID155690234
Molecular FormulaC16H36N2
Molecular Weight256.48 g/mol
Exact Mass256.29
IUPAC Name4-tert-butyl-1-propan-2-yl-2-propylpiperazine;ethane
SMILESCC.CCCC1CN(C(C)(C)C)CCN1C(C)C
InChIInChI=1S/C14H30N2.C2H6/c1-7-8-13-11-15(14(4,5)6)9-10-16(13)12(2)3;1-2/h12-13H,7-11H2,1-6H3;1-2H3
InChIKeyLAOPXVMKLOXMSD-UHFFFAOYSA-N
XLogP4.01
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.48
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-propan-2-yl-5-propylpyrrolidin-3-ol
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(3R)-1-tert-butyl-3-propylpiperidine
CID 171581901
4-tert-butyl-1-(1-iodoethyl)-2-methylpiperazine
CID 147800637
4-tert-butyl-1-ethyl-2-propan-2-ylpiperazine
CID 70790415
(3S,4R)-1-tert-butyl-3-propylpiperidin-4-ol
CID 171581981
(3S,4S)-1-tert-butyl-3-propylpiperidin-4-ol
CID 171581887
(3R,4S)-1-tert-butyl-3-propylpiperidin-4-ol
CID 171581949
tert-butyl 3-ethyl-4-propan-2-ylpiperazine-1-carboxylate
CID 170288316
(2R,4S)-2-ethyl-1-propan-2-yl-4-propylpyrrolidine
CID 169194158
5-tert-butyl-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
CID 170939617
4-ethyl-2-(fluoromethyl)-1-propan-2-ylpiperazine
CID 167076354

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-propan-2-yl-2-propylpiperazine;ethane?
The IUPAC name of 4-tert-butyl-1-propan-2-yl-2-propylpiperazine;ethane (CID 155690234) is 4-tert-butyl-1-propan-2-yl-2-propylpiperazine;ethane.
What is the SMILES notation for 4-tert-butyl-1-propan-2-yl-2-propylpiperazine;ethane?
The canonical SMILES for 4-tert-butyl-1-propan-2-yl-2-propylpiperazine;ethane is CC.CCCC1CN(C(C)(C)C)CCN1C(C)C.
What is the InChIKey of 4-tert-butyl-1-propan-2-yl-2-propylpiperazine;ethane?
The InChIKey is LAOPXVMKLOXMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2.C2H6/c1-7-8-13-11-15(14(4,5)6)9-10-16(13)12(2)3;1-2/h12-13H,7-11H2,1-6H3;1-2H3.
What are the key properties of 4-tert-butyl-1-propan-2-yl-2-propylpiperazine;ethane?
4-tert-butyl-1-propan-2-yl-2-propylpiperazine;ethane has a molecular weight of 256.48 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-propan-2-yl-2-propylpiperazine;ethane is sourced from PubChem (CID 155690234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).