(1S,5S)-1,3,3-trimethyl-6-(1-propylpiperidin-4-yl)-6-azabicyclo[3.2.1]octane

C18H34N2 — CID 6962700

IUPAC(1S,5S)-1,3,3-trimethyl-6-(1-propylpiperidin-4-yl)-6-azabicyclo[3.2.1]octane
SMILESCCCN1CCC(N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)CC1
InChIInChI=1S/C18H34N2/c1-5-8-19-9-6-15(7-10-19)20-14-18(4)12-16(20)11-17(2,3)13-18/h15-16H,5-14H2,1-4H3/t16-,18+/m0/s1
InChIKeyQWKNMBPZRXEFQS-FUHWJXTLSA-N
MW278.48 g/mol
LogP3.76
Rot. Bonds3

About (1S,5S)-1,3,3-trimethyl-6-(1-propylpiperidin-4-yl)-6-azabicyclo[3.2.1]octane

(1S,5S)-1,3,3-trimethyl-6-(1-propylpiperidin-4-yl)-6-azabicyclo[3.2.1]octane (PubChem CID 6962700) has the molecular formula C18H34N2 and a molecular weight of 278.48 g/mol. Its IUPAC name is (1S,5S)-1,3,3-trimethyl-6-(1-propylpiperidin-4-yl)-6-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1S,5S)-1,3,3-trimethyl-6-(1-propylpiperidin-4-yl)-6-azabicyclo[3.2.1]octane
PubChem CID6962700
Molecular FormulaC18H34N2
Molecular Weight278.48 g/mol
Exact Mass278.27
IUPAC Name(1S,5S)-1,3,3-trimethyl-6-(1-propylpiperidin-4-yl)-6-azabicyclo[3.2.1]octane
SMILESCCCN1CCC(N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)CC1
InChIInChI=1S/C18H34N2/c1-5-8-19-9-6-15(7-10-19)20-14-18(4)12-16(20)11-17(2,3)13-18/h15-16H,5-14H2,1-4H3/t16-,18+/m0/s1
InChIKeyQWKNMBPZRXEFQS-FUHWJXTLSA-N
XLogP3.76
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.48
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,5S)-1,3,3-trimethyl-6-(1-propylpiperidin-4-yl)-6-azabicyclo[3.2.1]octane?
The IUPAC name of (1S,5S)-1,3,3-trimethyl-6-(1-propylpiperidin-4-yl)-6-azabicyclo[3.2.1]octane (CID 6962700) is (1S,5S)-1,3,3-trimethyl-6-(1-propylpiperidin-4-yl)-6-azabicyclo[3.2.1]octane.
What is the SMILES notation for (1S,5S)-1,3,3-trimethyl-6-(1-propylpiperidin-4-yl)-6-azabicyclo[3.2.1]octane?
The canonical SMILES for (1S,5S)-1,3,3-trimethyl-6-(1-propylpiperidin-4-yl)-6-azabicyclo[3.2.1]octane is CCCN1CCC(N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)CC1.
What is the InChIKey of (1S,5S)-1,3,3-trimethyl-6-(1-propylpiperidin-4-yl)-6-azabicyclo[3.2.1]octane?
The InChIKey is QWKNMBPZRXEFQS-FUHWJXTLSA-N. The full InChI is InChI=1S/C18H34N2/c1-5-8-19-9-6-15(7-10-19)20-14-18(4)12-16(20)11-17(2,3)13-18/h15-16H,5-14H2,1-4H3/t16-,18+/m0/s1.
What are the key properties of (1S,5S)-1,3,3-trimethyl-6-(1-propylpiperidin-4-yl)-6-azabicyclo[3.2.1]octane?
(1S,5S)-1,3,3-trimethyl-6-(1-propylpiperidin-4-yl)-6-azabicyclo[3.2.1]octane has a molecular weight of 278.48 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-1,3,3-trimethyl-6-(1-propylpiperidin-4-yl)-6-azabicyclo[3.2.1]octane is sourced from PubChem (CID 6962700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).