2-[1-(1-tert-butyl-3,5-dimethylpiperidin-4-yl)-2-methylpropan-2-yl]-5-(cyclopropylmethyl)-2,5-diazabicyclo[2.2.1]heptane

C24H45N3 — CID 139332518

IUPAC2-[1-(1-tert-butyl-3,5-dimethylpiperidin-4-yl)-2-methylpropan-2-yl]-5-(cyclopropylmethyl)-2,5-diazabicyclo[2.2.1]heptane
SMILESCC1CN(C(C)(C)C)CC(C)C1CC(C)(C)N1CC2CC1CN2CC1CC1
InChIInChI=1S/C24H45N3/c1-17-12-26(23(3,4)5)13-18(2)22(17)11-24(6,7)27-16-20-10-21(27)15-25(20)14-19-8-9-19/h17-22H,8-16H2,1-7H3
InChIKeyGUHLYNJASOOCGC-UHFFFAOYSA-N
MW375.65 g/mol
LogP4.33
Rot. Bonds5

About 2-[1-(1-tert-butyl-3,5-dimethylpiperidin-4-yl)-2-methylpropan-2-yl]-5-(cyclopropylmethyl)-2,5-diazabicyclo[2.2.1]heptane

2-[1-(1-tert-butyl-3,5-dimethylpiperidin-4-yl)-2-methylpropan-2-yl]-5-(cyclopropylmethyl)-2,5-diazabicyclo[2.2.1]heptane (PubChem CID 139332518) has the molecular formula C24H45N3 and a molecular weight of 375.65 g/mol. Its IUPAC name is 2-[1-(1-tert-butyl-3,5-dimethylpiperidin-4-yl)-2-methylpropan-2-yl]-5-(cyclopropylmethyl)-2,5-diazabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-[1-(1-tert-butyl-3,5-dimethylpiperidin-4-yl)-2-methylpropan-2-yl]-5-(cyclopropylmethyl)-2,5-diazabicyclo[2.2.1]heptane
PubChem CID139332518
Molecular FormulaC24H45N3
Molecular Weight375.65 g/mol
Exact Mass375.36
IUPAC Name2-[1-(1-tert-butyl-3,5-dimethylpiperidin-4-yl)-2-methylpropan-2-yl]-5-(cyclopropylmethyl)-2,5-diazabicyclo[2.2.1]heptane
SMILESCC1CN(C(C)(C)C)CC(C)C1CC(C)(C)N1CC2CC1CN2CC1CC1
InChIInChI=1S/C24H45N3/c1-17-12-26(23(3,4)5)13-18(2)22(17)11-24(6,7)27-16-20-10-21(27)15-25(20)14-19-8-9-19/h17-22H,8-16H2,1-7H3
InChIKeyGUHLYNJASOOCGC-UHFFFAOYSA-N
XLogP4.33
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.65
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-tert-butyl-3,5-dimethylpiperidin-4-yl)-2-methylpropan-2-yl]-5-(cyclopropylmethyl)-2,5-diazabicyclo[2.2.1]heptane?
The IUPAC name of 2-[1-(1-tert-butyl-3,5-dimethylpiperidin-4-yl)-2-methylpropan-2-yl]-5-(cyclopropylmethyl)-2,5-diazabicyclo[2.2.1]heptane (CID 139332518) is 2-[1-(1-tert-butyl-3,5-dimethylpiperidin-4-yl)-2-methylpropan-2-yl]-5-(cyclopropylmethyl)-2,5-diazabicyclo[2.2.1]heptane.
What is the SMILES notation for 2-[1-(1-tert-butyl-3,5-dimethylpiperidin-4-yl)-2-methylpropan-2-yl]-5-(cyclopropylmethyl)-2,5-diazabicyclo[2.2.1]heptane?
The canonical SMILES for 2-[1-(1-tert-butyl-3,5-dimethylpiperidin-4-yl)-2-methylpropan-2-yl]-5-(cyclopropylmethyl)-2,5-diazabicyclo[2.2.1]heptane is CC1CN(C(C)(C)C)CC(C)C1CC(C)(C)N1CC2CC1CN2CC1CC1.
What is the InChIKey of 2-[1-(1-tert-butyl-3,5-dimethylpiperidin-4-yl)-2-methylpropan-2-yl]-5-(cyclopropylmethyl)-2,5-diazabicyclo[2.2.1]heptane?
The InChIKey is GUHLYNJASOOCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H45N3/c1-17-12-26(23(3,4)5)13-18(2)22(17)11-24(6,7)27-16-20-10-21(27)15-25(20)14-19-8-9-19/h17-22H,8-16H2,1-7H3.
What are the key properties of 2-[1-(1-tert-butyl-3,5-dimethylpiperidin-4-yl)-2-methylpropan-2-yl]-5-(cyclopropylmethyl)-2,5-diazabicyclo[2.2.1]heptane?
2-[1-(1-tert-butyl-3,5-dimethylpiperidin-4-yl)-2-methylpropan-2-yl]-5-(cyclopropylmethyl)-2,5-diazabicyclo[2.2.1]heptane has a molecular weight of 375.65 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-tert-butyl-3,5-dimethylpiperidin-4-yl)-2-methylpropan-2-yl]-5-(cyclopropylmethyl)-2,5-diazabicyclo[2.2.1]heptane is sourced from PubChem (CID 139332518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).