3-(piperidin-4-ylmethyl)-6-propan-2-yl-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

C32H62N6 — CID 171564680

IUPAC3-(piperidin-4-ylmethyl)-6-propan-2-yl-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)N1C2CC1CN(CC1CCNCC1)C2.CC(C)N1CCC(CN2CC3CCC(C2)N3C(C)C)CC1
InChIInChI=1S/C18H35N3.C14H27N3/c1-14(2)20-9-7-16(8-10-20)11-19-12-17-5-6-18(13-19)21(17)15(3)4;1-11(2)17-13-7-14(17)10-16(9-13)8-12-3-5-15-6-4-12/h14-18H,5-13H2,1-4H3;11-15H,3-10H2,1-2H3
InChIKeyLCYRUEONIVVRFN-UHFFFAOYSA-N
MW530.89 g/mol
LogP3.82
Rot. Bonds7

About 3-(piperidin-4-ylmethyl)-6-propan-2-yl-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-(piperidin-4-ylmethyl)-6-propan-2-yl-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 171564680) has the molecular formula C32H62N6 and a molecular weight of 530.89 g/mol. Its IUPAC name is 3-(piperidin-4-ylmethyl)-6-propan-2-yl-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-(piperidin-4-ylmethyl)-6-propan-2-yl-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 CID171564680
Molecular FormulaC32H62N6
Molecular Weight530.89 g/mol
Exact Mass530.50
IUPAC Name3-(piperidin-4-ylmethyl)-6-propan-2-yl-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)N1C2CC1CN(CC1CCNCC1)C2.CC(C)N1CCC(CN2CC3CCC(C2)N3C(C)C)CC1
InChIInChI=1S/C18H35N3.C14H27N3/c1-14(2)20-9-7-16(8-10-20)11-19-12-17-5-6-18(13-19)21(17)15(3)4;1-11(2)17-13-7-14(17)10-16(9-13)8-12-3-5-15-6-4-12/h14-18H,5-13H2,1-4H3;11-15H,3-10H2,1-2H3
InChIKeyLCYRUEONIVVRFN-UHFFFAOYSA-N
XLogP3.82
TPSA28.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.89
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(piperidin-4-ylmethyl)-6-propan-2-yl-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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(piperidin-4-ylmethyl)-6-propan-2-yl-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-(piperidin-4-ylmethyl)-6-propan-2-yl-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 171564680) is 3-(piperidin-4-ylmethyl)-6-propan-2-yl-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-(piperidin-4-ylmethyl)-6-propan-2-yl-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-(piperidin-4-ylmethyl)-6-propan-2-yl-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)N1C2CC1CN(CC1CCNCC1)C2.CC(C)N1CCC(CN2CC3CCC(C2)N3C(C)C)CC1.
What is the InChIKey of 3-(piperidin-4-ylmethyl)-6-propan-2-yl-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 LCYRUEONIVVRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3.C14H27N3/c1-14(2)20-9-7-16(8-10-20)11-19-12-17-5-6-18(13-19)21(17)15(3)4;1-11(2)17-13-7-14(17)10-16(9-13)8-12-3-5-15-6-4-12/h14-18H,5-13H2,1-4H3;11-15H,3-10H2,1-2H3.
What are the key properties of 3-(piperidin-4-ylmethyl)-6-propan-2-yl-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-(piperidin-4-ylmethyl)-6-propan-2-yl-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 530.89 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperidin-4-ylmethyl)-6-propan-2-yl-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 171564680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).