8-[(4-tert-butylpiperidin-1-yl)methyl]-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane

C19H37N3 — CID 176841713

IUPAC8-[(4-tert-butylpiperidin-1-yl)methyl]-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane
SMILESCC(C)N1CC2CCC(C1)N2CN1CCC(C(C)(C)C)CC1
InChIInChI=1S/C19H37N3/c1-15(2)21-12-17-6-7-18(13-21)22(17)14-20-10-8-16(9-11-20)19(3,4)5/h15-18H,6-14H2,1-5H3
InChIKeyRLKAZTDJBNCNQY-UHFFFAOYSA-N
MW307.53 g/mol
LogP3.26
Rot. Bonds3

About 8-[(4-tert-butylpiperidin-1-yl)methyl]-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane

8-[(4-tert-butylpiperidin-1-yl)methyl]-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane (PubChem CID 176841713) has the molecular formula C19H37N3 and a molecular weight of 307.53 g/mol. Its IUPAC name is 8-[(4-tert-butylpiperidin-1-yl)methyl]-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-[(4-tert-butylpiperidin-1-yl)methyl]-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane
PubChem CID176841713
Molecular FormulaC19H37N3
Molecular Weight307.53 g/mol
Exact Mass307.30
IUPAC Name8-[(4-tert-butylpiperidin-1-yl)methyl]-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane
SMILESCC(C)N1CC2CCC(C1)N2CN1CCC(C(C)(C)C)CC1
InChIInChI=1S/C19H37N3/c1-15(2)21-12-17-6-7-18(13-21)22(17)14-20-10-8-16(9-11-20)19(3,4)5/h15-18H,6-14H2,1-5H3
InChIKeyRLKAZTDJBNCNQY-UHFFFAOYSA-N
XLogP3.26
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.53
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[(4-tert-butylpiperidin-1-yl)methyl]-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane?
The IUPAC name of 8-[(4-tert-butylpiperidin-1-yl)methyl]-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane (CID 176841713) is 8-[(4-tert-butylpiperidin-1-yl)methyl]-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 8-[(4-tert-butylpiperidin-1-yl)methyl]-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane?
The canonical SMILES for 8-[(4-tert-butylpiperidin-1-yl)methyl]-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane is CC(C)N1CC2CCC(C1)N2CN1CCC(C(C)(C)C)CC1.
What is the InChIKey of 8-[(4-tert-butylpiperidin-1-yl)methyl]-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane?
The InChIKey is RLKAZTDJBNCNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N3/c1-15(2)21-12-17-6-7-18(13-21)22(17)14-20-10-8-16(9-11-20)19(3,4)5/h15-18H,6-14H2,1-5H3.
What are the key properties of 8-[(4-tert-butylpiperidin-1-yl)methyl]-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane?
8-[(4-tert-butylpiperidin-1-yl)methyl]-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane has a molecular weight of 307.53 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-tert-butylpiperidin-1-yl)methyl]-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 176841713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).