3-[[1-(2-methylpropyl)cyclopropyl]methyl]-8-[(4-propan-2-ylpiperazin-1-yl)methyl]-3-azabicyclo[3.2.1]octane

C23H43N3 — CID 171748388

IUPAC3-[[1-(2-methylpropyl)cyclopropyl]methyl]-8-[(4-propan-2-ylpiperazin-1-yl)methyl]-3-azabicyclo[3.2.1]octane
SMILESCC(C)CC1(CN2CC3CCC(C2)C3CN2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C23H43N3/c1-18(2)13-23(7-8-23)17-25-14-20-5-6-21(15-25)22(20)16-24-9-11-26(12-10-24)19(3)4/h18-22H,5-17H2,1-4H3
InChIKeyFAGGIFCEINMUPE-UHFFFAOYSA-N
MW361.62 g/mol
LogP3.80
Rot. Bonds7

About 3-[[1-(2-methylpropyl)cyclopropyl]methyl]-8-[(4-propan-2-ylpiperazin-1-yl)methyl]-3-azabicyclo[3.2.1]octane

3-[[1-(2-methylpropyl)cyclopropyl]methyl]-8-[(4-propan-2-ylpiperazin-1-yl)methyl]-3-azabicyclo[3.2.1]octane (PubChem CID 171748388) has the molecular formula C23H43N3 and a molecular weight of 361.62 g/mol. Its IUPAC name is 3-[[1-(2-methylpropyl)cyclopropyl]methyl]-8-[(4-propan-2-ylpiperazin-1-yl)methyl]-3-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-[[1-(2-methylpropyl)cyclopropyl]methyl]-8-[(4-propan-2-ylpiperazin-1-yl)methyl]-3-azabicyclo[3.2.1]octane
PubChem CID171748388
Molecular FormulaC23H43N3
Molecular Weight361.62 g/mol
Exact Mass361.35
IUPAC Name3-[[1-(2-methylpropyl)cyclopropyl]methyl]-8-[(4-propan-2-ylpiperazin-1-yl)methyl]-3-azabicyclo[3.2.1]octane
SMILESCC(C)CC1(CN2CC3CCC(C2)C3CN2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C23H43N3/c1-18(2)13-23(7-8-23)17-25-14-20-5-6-21(15-25)22(20)16-24-9-11-26(12-10-24)19(3)4/h18-22H,5-17H2,1-4H3
InChIKeyFAGGIFCEINMUPE-UHFFFAOYSA-N
XLogP3.80
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.62
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2-methylpropyl)cyclopropyl]methyl]-8-[(4-propan-2-ylpiperazin-1-yl)methyl]-3-azabicyclo[3.2.1]octane?
The IUPAC name of 3-[[1-(2-methylpropyl)cyclopropyl]methyl]-8-[(4-propan-2-ylpiperazin-1-yl)methyl]-3-azabicyclo[3.2.1]octane (CID 171748388) is 3-[[1-(2-methylpropyl)cyclopropyl]methyl]-8-[(4-propan-2-ylpiperazin-1-yl)methyl]-3-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-[[1-(2-methylpropyl)cyclopropyl]methyl]-8-[(4-propan-2-ylpiperazin-1-yl)methyl]-3-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-[[1-(2-methylpropyl)cyclopropyl]methyl]-8-[(4-propan-2-ylpiperazin-1-yl)methyl]-3-azabicyclo[3.2.1]octane is CC(C)CC1(CN2CC3CCC(C2)C3CN2CCN(C(C)C)CC2)CC1.
What is the InChIKey of 3-[[1-(2-methylpropyl)cyclopropyl]methyl]-8-[(4-propan-2-ylpiperazin-1-yl)methyl]-3-azabicyclo[3.2.1]octane?
The InChIKey is FAGGIFCEINMUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H43N3/c1-18(2)13-23(7-8-23)17-25-14-20-5-6-21(15-25)22(20)16-24-9-11-26(12-10-24)19(3)4/h18-22H,5-17H2,1-4H3.
What are the key properties of 3-[[1-(2-methylpropyl)cyclopropyl]methyl]-8-[(4-propan-2-ylpiperazin-1-yl)methyl]-3-azabicyclo[3.2.1]octane?
3-[[1-(2-methylpropyl)cyclopropyl]methyl]-8-[(4-propan-2-ylpiperazin-1-yl)methyl]-3-azabicyclo[3.2.1]octane has a molecular weight of 361.62 g/mol, XLogP of 3.80, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2-methylpropyl)cyclopropyl]methyl]-8-[(4-propan-2-ylpiperazin-1-yl)methyl]-3-azabicyclo[3.2.1]octane is sourced from PubChem (CID 171748388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).