1-tert-butyl-4-pyrrolidin-1-ylpiperidine;ethane;N,N,1-trimethylpiperidin-4-amine

C23H50N4 — CID 144804917

IUPAC1-tert-butyl-4-pyrrolidin-1-ylpiperidine;ethane;N,N,1-trimethylpiperidin-4-amine
SMILESCC.CC(C)(C)N1CCC(N2CCCC2)CC1.CN1CCC(N(C)C)CC1
InChIInChI=1S/C13H26N2.C8H18N2.C2H6/c1-13(2,3)15-10-6-12(7-11-15)14-8-4-5-9-14;1-9(2)8-4-6-10(3)7-5-8;1-2/h12H,4-11H2,1-3H3;8H,4-7H2,1-3H3;1-2H3
InChIKeyWUKAXXMUFWOFRA-UHFFFAOYSA-N
MW382.68 g/mol
LogP4.01
Rot. Bonds2

About 1-tert-butyl-4-pyrrolidin-1-ylpiperidine;ethane;N,N,1-trimethylpiperidin-4-amine

1-tert-butyl-4-pyrrolidin-1-ylpiperidine;ethane;N,N,1-trimethylpiperidin-4-amine (PubChem CID 144804917) has the molecular formula C23H50N4 and a molecular weight of 382.68 g/mol. Its IUPAC name is 1-tert-butyl-4-pyrrolidin-1-ylpiperidine;ethane;N,N,1-trimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-tert-butyl-4-pyrrolidin-1-ylpiperidine;ethane;N,N,1-trimethylpiperidin-4-amine
PubChem CID144804917
Molecular FormulaC23H50N4
Molecular Weight382.68 g/mol
Exact Mass382.40
IUPAC Name1-tert-butyl-4-pyrrolidin-1-ylpiperidine;ethane;N,N,1-trimethylpiperidin-4-amine
SMILESCC.CC(C)(C)N1CCC(N2CCCC2)CC1.CN1CCC(N(C)C)CC1
InChIInChI=1S/C13H26N2.C8H18N2.C2H6/c1-13(2,3)15-10-6-12(7-11-15)14-8-4-5-9-14;1-9(2)8-4-6-10(3)7-5-8;1-2/h12H,4-11H2,1-3H3;8H,4-7H2,1-3H3;1-2H3
InChIKeyWUKAXXMUFWOFRA-UHFFFAOYSA-N
XLogP4.01
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.68
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1'-Ethyl-3-(1-pyrrolidinylmethyl)-1,4'-bipiperidine
CID 45929901
1'-Tert-butyl-[1,4']bipiperidinyl
CID 20740797
1-Tert-butyl-4-pyrrolidin-1-yl-piperidine
CID 57845709
1,1-Dipropyl-4-(1-propylpyrrolidin-1-ium-1-yl)piperidin-1-ium
CID 58005050
1-Tert-butyl-4-(1-tert-butylpiperidin-4-yl)piperazine
CID 59522791
1-(1-Tert-butylpiperidin-4-yl)-4-propan-2-ylpiperazine
CID 68165116
2-(1-tert-butylpiperidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 70995672
4-(1-Ethylpiperidin-4-yl)-1,2,2,6,6-pentamethylpiperazine
CID 70996991
4-(1-Tert-butylpiperidin-4-yl)-1,2,2,6,6-pentamethylpiperazine
CID 71055637
2-[1-(2-methylbutan-2-yl)piperidin-4-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 71162733
1-(1-Tert-butylpiperidin-4-yl)-4-propylpiperazine
CID 89945368
N-[3-[4-(diethylamino)piperidin-1-yl]propyl]-1-ethyl-N-methylpiperidin-4-amine
CID 91493280

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-pyrrolidin-1-ylpiperidine;ethane;N,N,1-trimethylpiperidin-4-amine?
The IUPAC name of 1-tert-butyl-4-pyrrolidin-1-ylpiperidine;ethane;N,N,1-trimethylpiperidin-4-amine (CID 144804917) is 1-tert-butyl-4-pyrrolidin-1-ylpiperidine;ethane;N,N,1-trimethylpiperidin-4-amine.
What is the SMILES notation for 1-tert-butyl-4-pyrrolidin-1-ylpiperidine;ethane;N,N,1-trimethylpiperidin-4-amine?
The canonical SMILES for 1-tert-butyl-4-pyrrolidin-1-ylpiperidine;ethane;N,N,1-trimethylpiperidin-4-amine is CC.CC(C)(C)N1CCC(N2CCCC2)CC1.CN1CCC(N(C)C)CC1.
What is the InChIKey of 1-tert-butyl-4-pyrrolidin-1-ylpiperidine;ethane;N,N,1-trimethylpiperidin-4-amine?
The InChIKey is WUKAXXMUFWOFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2.C8H18N2.C2H6/c1-13(2,3)15-10-6-12(7-11-15)14-8-4-5-9-14;1-9(2)8-4-6-10(3)7-5-8;1-2/h12H,4-11H2,1-3H3;8H,4-7H2,1-3H3;1-2H3.
What are the key properties of 1-tert-butyl-4-pyrrolidin-1-ylpiperidine;ethane;N,N,1-trimethylpiperidin-4-amine?
1-tert-butyl-4-pyrrolidin-1-ylpiperidine;ethane;N,N,1-trimethylpiperidin-4-amine has a molecular weight of 382.68 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-pyrrolidin-1-ylpiperidine;ethane;N,N,1-trimethylpiperidin-4-amine is sourced from PubChem (CID 144804917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).