8-[1-(1-methylpiperidin-3-yl)propan-2-yl]-8-azabicyclo[3.2.1]octane

C16H30N2 — CID 129209375

IUPAC8-[1-(1-methylpiperidin-3-yl)propan-2-yl]-8-azabicyclo[3.2.1]octane
SMILESCC(CC1CCCN(C)C1)N1C2CCCC1CC2
InChIInChI=1S/C16H30N2/c1-13(11-14-5-4-10-17(2)12-14)18-15-6-3-7-16(18)9-8-15/h13-16H,3-12H2,1-2H3
InChIKeyMKLGNLOVQWTGEI-UHFFFAOYSA-N
MW250.43 g/mol
LogP3.12
Rot. Bonds3

About 8-[1-(1-methylpiperidin-3-yl)propan-2-yl]-8-azabicyclo[3.2.1]octane

8-[1-(1-methylpiperidin-3-yl)propan-2-yl]-8-azabicyclo[3.2.1]octane (PubChem CID 129209375) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 8-[1-(1-methylpiperidin-3-yl)propan-2-yl]-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-[1-(1-methylpiperidin-3-yl)propan-2-yl]-8-azabicyclo[3.2.1]octane
PubChem CID129209375
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name8-[1-(1-methylpiperidin-3-yl)propan-2-yl]-8-azabicyclo[3.2.1]octane
SMILESCC(CC1CCCN(C)C1)N1C2CCCC1CC2
InChIInChI=1S/C16H30N2/c1-13(11-14-5-4-10-17(2)12-14)18-15-6-3-7-16(18)9-8-15/h13-16H,3-12H2,1-2H3
InChIKeyMKLGNLOVQWTGEI-UHFFFAOYSA-N
XLogP3.12
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-[1-(1-methylpiperidin-3-yl)propan-2-yl]-8-azabicyclo[3.2.1]octane?
The IUPAC name of 8-[1-(1-methylpiperidin-3-yl)propan-2-yl]-8-azabicyclo[3.2.1]octane (CID 129209375) is 8-[1-(1-methylpiperidin-3-yl)propan-2-yl]-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 8-[1-(1-methylpiperidin-3-yl)propan-2-yl]-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 8-[1-(1-methylpiperidin-3-yl)propan-2-yl]-8-azabicyclo[3.2.1]octane is CC(CC1CCCN(C)C1)N1C2CCCC1CC2.
What is the InChIKey of 8-[1-(1-methylpiperidin-3-yl)propan-2-yl]-8-azabicyclo[3.2.1]octane?
The InChIKey is MKLGNLOVQWTGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-13(11-14-5-4-10-17(2)12-14)18-15-6-3-7-16(18)9-8-15/h13-16H,3-12H2,1-2H3.
What are the key properties of 8-[1-(1-methylpiperidin-3-yl)propan-2-yl]-8-azabicyclo[3.2.1]octane?
8-[1-(1-methylpiperidin-3-yl)propan-2-yl]-8-azabicyclo[3.2.1]octane has a molecular weight of 250.43 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-(1-methylpiperidin-3-yl)propan-2-yl]-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 129209375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).