1-(1-methylpiperidin-4-yl)-N-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidin-3-amine

C18H35N3O — CID 75428148

IUPAC1-(1-methylpiperidin-4-yl)-N-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidin-3-amine
SMILESCN1CCC(N2CCC(NC3CC(C)(C)OC3(C)C)C2)CC1
InChIInChI=1S/C18H35N3O/c1-17(2)12-16(18(3,4)22-17)19-14-6-11-21(13-14)15-7-9-20(5)10-8-15/h14-16,19H,6-13H2,1-5H3
InChIKeyQGYZQWRAOUWWKR-UHFFFAOYSA-N
MW309.50 g/mol
LogP2.09
Rot. Bonds3

About 1-(1-methylpiperidin-4-yl)-N-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidin-3-amine

1-(1-methylpiperidin-4-yl)-N-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidin-3-amine (PubChem CID 75428148) has the molecular formula C18H35N3O and a molecular weight of 309.50 g/mol. Its IUPAC name is 1-(1-methylpiperidin-4-yl)-N-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-(1-methylpiperidin-4-yl)-N-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidin-3-amine
PubChem CID75428148
Molecular FormulaC18H35N3O
Molecular Weight309.50 g/mol
Exact Mass309.28
IUPAC Name1-(1-methylpiperidin-4-yl)-N-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidin-3-amine
SMILESCN1CCC(N2CCC(NC3CC(C)(C)OC3(C)C)C2)CC1
InChIInChI=1S/C18H35N3O/c1-17(2)12-16(18(3,4)22-17)19-14-6-11-21(13-14)15-7-9-20(5)10-8-15/h14-16,19H,6-13H2,1-5H3
InChIKeyQGYZQWRAOUWWKR-UHFFFAOYSA-N
XLogP2.09
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.50
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpiperidin-4-yl)-N-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidin-3-amine?
The IUPAC name of 1-(1-methylpiperidin-4-yl)-N-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidin-3-amine (CID 75428148) is 1-(1-methylpiperidin-4-yl)-N-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidin-3-amine.
What is the SMILES notation for 1-(1-methylpiperidin-4-yl)-N-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidin-3-amine?
The canonical SMILES for 1-(1-methylpiperidin-4-yl)-N-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidin-3-amine is CN1CCC(N2CCC(NC3CC(C)(C)OC3(C)C)C2)CC1.
What is the InChIKey of 1-(1-methylpiperidin-4-yl)-N-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidin-3-amine?
The InChIKey is QGYZQWRAOUWWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O/c1-17(2)12-16(18(3,4)22-17)19-14-6-11-21(13-14)15-7-9-20(5)10-8-15/h14-16,19H,6-13H2,1-5H3.
What are the key properties of 1-(1-methylpiperidin-4-yl)-N-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidin-3-amine?
1-(1-methylpiperidin-4-yl)-N-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidin-3-amine has a molecular weight of 309.50 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpiperidin-4-yl)-N-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidin-3-amine is sourced from PubChem (CID 75428148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).