3-propan-2-yl-6-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane;8-propan-2-yl-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,8-diazabicyclo[3.2.1]octane

C35H68N6 — CID 171564586

IUPAC3-propan-2-yl-6-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane;8-propan-2-yl-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,8-diazabicyclo[3.2.1]octane
SMILESCC(C)N1CCC(CN2C3CC2CN(C(C)C)C3)CC1.CC(C)N1CCC(CN2CC3CCC(C2)N3C(C)C)CC1
InChIInChI=1S/C18H35N3.C17H33N3/c1-14(2)20-9-7-16(8-10-20)11-19-12-17-5-6-18(13-19)21(17)15(3)4;1-13(2)18-7-5-15(6-8-18)10-20-16-9-17(20)12-19(11-16)14(3)4/h14-18H,5-13H2,1-4H3;13-17H,5-12H2,1-4H3
InChIKeyIYYCMHHGWFJPLO-UHFFFAOYSA-N
MW572.97 g/mol
LogP4.94
Rot. Bonds8

About 3-propan-2-yl-6-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane;8-propan-2-yl-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,8-diazabicyclo[3.2.1]octane

3-propan-2-yl-6-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane;8-propan-2-yl-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,8-diazabicyclo[3.2.1]octane (PubChem CID 171564586) has the molecular formula C35H68N6 and a molecular weight of 572.97 g/mol. Its IUPAC name is 3-propan-2-yl-6-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane;8-propan-2-yl-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-propan-2-yl-6-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane;8-propan-2-yl-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,8-diazabicyclo[3.2.1]octane
PubChem CID171564586
Molecular FormulaC35H68N6
Molecular Weight572.97 g/mol
Exact Mass572.55
IUPAC Name3-propan-2-yl-6-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane;8-propan-2-yl-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,8-diazabicyclo[3.2.1]octane
SMILESCC(C)N1CCC(CN2C3CC2CN(C(C)C)C3)CC1.CC(C)N1CCC(CN2CC3CCC(C2)N3C(C)C)CC1
InChIInChI=1S/C18H35N3.C17H33N3/c1-14(2)20-9-7-16(8-10-20)11-19-12-17-5-6-18(13-19)21(17)15(3)4;1-13(2)18-7-5-15(6-8-18)10-20-16-9-17(20)12-19(11-16)14(3)4/h14-18H,5-13H2,1-4H3;13-17H,5-12H2,1-4H3
InChIKeyIYYCMHHGWFJPLO-UHFFFAOYSA-N
XLogP4.94
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500572.97
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-propan-2-yl-6-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane;8-propan-2-yl-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,8-diazabicyclo[3.2.1]octane with MolForge

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Launch Full Analysis

Related Compounds

8-[(1-ethylpiperidin-4-yl)methyl]-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane
CID 166461736
3-methyl-8-[(1-propan-2-ylpiperidin-4-yl)methyl]-8-azabicyclo[3.2.1]octane
CID 176984317
5-propan-2-yl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 164782571
2,6-dimethyl-1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine
CID 167417683
3-propan-2-yl-6-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,6-diazabicyclo[3.2.1]octane
CID 167417926
1-tert-butyl-4-[1-[(1-propan-2-ylpiperidin-4-yl)methyl]azetidin-3-yl]piperazine
CID 172511550
3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;methane
CID 159832079
2,4,6-trimethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine
CID 170616944
1-(1-propan-2-ylazetidin-3-yl)-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine
CID 167282451
(3aR,6aS)-5-tert-butyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 155702594
ethane;N-methyl-N,1-bis[(1-propan-2-ylpiperidin-4-yl)methyl]azetidin-3-amine
CID 155702576
5-(3-methylbutyl)-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-3-azabicyclo[4.1.0]heptane
CID 174286180

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-6-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane;8-propan-2-yl-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,8-diazabicyclo[3.2.1]octane?
The IUPAC name of 3-propan-2-yl-6-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane;8-propan-2-yl-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,8-diazabicyclo[3.2.1]octane (CID 171564586) is 3-propan-2-yl-6-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane;8-propan-2-yl-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,8-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 3-propan-2-yl-6-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane;8-propan-2-yl-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,8-diazabicyclo[3.2.1]octane?
The canonical SMILES for 3-propan-2-yl-6-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane;8-propan-2-yl-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,8-diazabicyclo[3.2.1]octane is CC(C)N1CCC(CN2C3CC2CN(C(C)C)C3)CC1.CC(C)N1CCC(CN2CC3CCC(C2)N3C(C)C)CC1.
What is the InChIKey of 3-propan-2-yl-6-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane;8-propan-2-yl-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,8-diazabicyclo[3.2.1]octane?
The InChIKey is IYYCMHHGWFJPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3.C17H33N3/c1-14(2)20-9-7-16(8-10-20)11-19-12-17-5-6-18(13-19)21(17)15(3)4;1-13(2)18-7-5-15(6-8-18)10-20-16-9-17(20)12-19(11-16)14(3)4/h14-18H,5-13H2,1-4H3;13-17H,5-12H2,1-4H3.
What are the key properties of 3-propan-2-yl-6-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane;8-propan-2-yl-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,8-diazabicyclo[3.2.1]octane?
3-propan-2-yl-6-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane;8-propan-2-yl-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,8-diazabicyclo[3.2.1]octane has a molecular weight of 572.97 g/mol, XLogP of 4.94, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-6-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane;8-propan-2-yl-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 171564586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).