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

C17H32N2 — CID 176984317

IUPAC3-methyl-8-[(1-propan-2-ylpiperidin-4-yl)methyl]-8-azabicyclo[3.2.1]octane
SMILESCC1CC2CCC(C1)N2CC1CCN(C(C)C)CC1
InChIInChI=1S/C17H32N2/c1-13(2)18-8-6-15(7-9-18)12-19-16-4-5-17(19)11-14(3)10-16/h13-17H,4-12H2,1-3H3
InChIKeyUASPYJXZKVQQKL-UHFFFAOYSA-N
MW264.46 g/mol
LogP3.37
Rot. Bonds3

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

3-methyl-8-[(1-propan-2-ylpiperidin-4-yl)methyl]-8-azabicyclo[3.2.1]octane (PubChem CID 176984317) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is 3-methyl-8-[(1-propan-2-ylpiperidin-4-yl)methyl]-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-methyl-8-[(1-propan-2-ylpiperidin-4-yl)methyl]-8-azabicyclo[3.2.1]octane
PubChem CID176984317
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC Name3-methyl-8-[(1-propan-2-ylpiperidin-4-yl)methyl]-8-azabicyclo[3.2.1]octane
SMILESCC1CC2CCC(C1)N2CC1CCN(C(C)C)CC1
InChIInChI=1S/C17H32N2/c1-13(2)18-8-6-15(7-9-18)12-19-16-4-5-17(19)11-14(3)10-16/h13-17H,4-12H2,1-3H3
InChIKeyUASPYJXZKVQQKL-UHFFFAOYSA-N
XLogP3.37
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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
2,4,6-trimethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine
CID 170616944
8-[(1-ethylpiperidin-4-yl)methyl]-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane
CID 166461736
2,4-dimethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine;ethane
CID 170616937
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
2,6-dimethyl-1-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine
CID 170616894
3-butan-2-yl-8-[(1-ethylpiperidin-4-yl)methyl]-8-azabicyclo[3.2.1]octane
CID 176985470
1-(1,3-dimethylcyclobutyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine
CID 170952684
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
(1R,5S)-8-ethyl-3-methyl-8-azabicyclo[3.2.1]octane
CID 121337296
3-propan-2-yl-9-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,9-diazaspiro[5.5]undecane
CID 155184308

Frequently Asked Questions

What is the IUPAC name of 3-methyl-8-[(1-propan-2-ylpiperidin-4-yl)methyl]-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-methyl-8-[(1-propan-2-ylpiperidin-4-yl)methyl]-8-azabicyclo[3.2.1]octane (CID 176984317) is 3-methyl-8-[(1-propan-2-ylpiperidin-4-yl)methyl]-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-methyl-8-[(1-propan-2-ylpiperidin-4-yl)methyl]-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-methyl-8-[(1-propan-2-ylpiperidin-4-yl)methyl]-8-azabicyclo[3.2.1]octane is CC1CC2CCC(C1)N2CC1CCN(C(C)C)CC1.
What is the InChIKey of 3-methyl-8-[(1-propan-2-ylpiperidin-4-yl)methyl]-8-azabicyclo[3.2.1]octane?
The InChIKey is UASPYJXZKVQQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2/c1-13(2)18-8-6-15(7-9-18)12-19-16-4-5-17(19)11-14(3)10-16/h13-17H,4-12H2,1-3H3.
What are the key properties of 3-methyl-8-[(1-propan-2-ylpiperidin-4-yl)methyl]-8-azabicyclo[3.2.1]octane?
3-methyl-8-[(1-propan-2-ylpiperidin-4-yl)methyl]-8-azabicyclo[3.2.1]octane has a molecular weight of 264.46 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-[(1-propan-2-ylpiperidin-4-yl)methyl]-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 176984317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).