2-[(1-tert-butylpiperidin-4-yl)methyl]-7-propan-2-yl-2,7-diazaspiro[3.4]octane

C19H37N3 — CID 146547671

IUPAC2-[(1-tert-butylpiperidin-4-yl)methyl]-7-propan-2-yl-2,7-diazaspiro[3.4]octane
SMILESCC(C)N1CCC2(CN(CC3CCN(C(C)(C)C)CC3)C2)C1
InChIInChI=1S/C19H37N3/c1-16(2)21-11-8-19(15-21)13-20(14-19)12-17-6-9-22(10-7-17)18(3,4)5/h16-17H,6-15H2,1-5H3
InChIKeyMEJYZJDKBJJSJC-UHFFFAOYSA-N
MW307.53 g/mol
LogP2.91
Rot. Bonds3

About 2-[(1-tert-butylpiperidin-4-yl)methyl]-7-propan-2-yl-2,7-diazaspiro[3.4]octane

2-[(1-tert-butylpiperidin-4-yl)methyl]-7-propan-2-yl-2,7-diazaspiro[3.4]octane (PubChem CID 146547671) has the molecular formula C19H37N3 and a molecular weight of 307.53 g/mol. Its IUPAC name is 2-[(1-tert-butylpiperidin-4-yl)methyl]-7-propan-2-yl-2,7-diazaspiro[3.4]octane.

Molecular Properties

Compound Name2-[(1-tert-butylpiperidin-4-yl)methyl]-7-propan-2-yl-2,7-diazaspiro[3.4]octane
PubChem CID146547671
Molecular FormulaC19H37N3
Molecular Weight307.53 g/mol
Exact Mass307.30
IUPAC Name2-[(1-tert-butylpiperidin-4-yl)methyl]-7-propan-2-yl-2,7-diazaspiro[3.4]octane
SMILESCC(C)N1CCC2(CN(CC3CCN(C(C)(C)C)CC3)C2)C1
InChIInChI=1S/C19H37N3/c1-16(2)21-11-8-19(15-21)13-20(14-19)12-17-6-9-22(10-7-17)18(3,4)5/h16-17H,6-15H2,1-5H3
InChIKeyMEJYZJDKBJJSJC-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[(1-tert-butylpiperidin-4-yl)methyl]-7-propan-2-yl-2,7-diazaspiro[3.4]octane with MolForge

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Related Compounds

2-Tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-5,5-difluoro-2,7-diazaspiro[3.4]octane
CID 176633970
2-Tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-5-fluoro-2,7-diazaspiro[3.4]octane
CID 176634054
7-[(1-Fluoropyrrolidin-3-yl)methyl]-2-methyl-2,7-diazaspiro[3.5]nonane
CID 156836675
4,4-Dimethyl-1-[(4-methyl-1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine
CID 20664176
1-[[1-(2,3-Dimethylbutan-2-yl)-4-methylpyrrolidin-3-yl]methyl]-4,4-dimethylpiperidine
CID 20664547
8-Tert-butyl-2-cyclobutyl-2,8-diazaspiro[4.5]decane
CID 59483785
1-Tert-butyl-4-(3-tert-butylpyrrolidin-1-yl)piperidine
CID 66600663
2,8-Ditert-butyl-2,8-diazaspiro[4.5]decane
CID 117606955
2,9-Ditert-butyl-2,9-diazaspiro[4.5]decane
CID 117999636
8-Tert-butyl-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decane
CID 118531425
1-[1-[1-[2-(1-Propan-2-ylazetidin-3-yl)propan-2-yl]pyrrolidin-3-yl]propan-2-yl]piperidine
CID 124196932
1-[2-[1-[2-(1-Propan-2-ylazetidin-3-yl)propan-2-yl]pyrrolidin-3-yl]propan-2-yl]piperidine
CID 126626153

Frequently Asked Questions

What is the IUPAC name of 2-[(1-tert-butylpiperidin-4-yl)methyl]-7-propan-2-yl-2,7-diazaspiro[3.4]octane?
The IUPAC name of 2-[(1-tert-butylpiperidin-4-yl)methyl]-7-propan-2-yl-2,7-diazaspiro[3.4]octane (CID 146547671) is 2-[(1-tert-butylpiperidin-4-yl)methyl]-7-propan-2-yl-2,7-diazaspiro[3.4]octane.
What is the SMILES notation for 2-[(1-tert-butylpiperidin-4-yl)methyl]-7-propan-2-yl-2,7-diazaspiro[3.4]octane?
The canonical SMILES for 2-[(1-tert-butylpiperidin-4-yl)methyl]-7-propan-2-yl-2,7-diazaspiro[3.4]octane is CC(C)N1CCC2(CN(CC3CCN(C(C)(C)C)CC3)C2)C1.
What is the InChIKey of 2-[(1-tert-butylpiperidin-4-yl)methyl]-7-propan-2-yl-2,7-diazaspiro[3.4]octane?
The InChIKey is MEJYZJDKBJJSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N3/c1-16(2)21-11-8-19(15-21)13-20(14-19)12-17-6-9-22(10-7-17)18(3,4)5/h16-17H,6-15H2,1-5H3.
What are the key properties of 2-[(1-tert-butylpiperidin-4-yl)methyl]-7-propan-2-yl-2,7-diazaspiro[3.4]octane?
2-[(1-tert-butylpiperidin-4-yl)methyl]-7-propan-2-yl-2,7-diazaspiro[3.4]octane has a molecular weight of 307.53 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-tert-butylpiperidin-4-yl)methyl]-7-propan-2-yl-2,7-diazaspiro[3.4]octane is sourced from PubChem (CID 146547671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).