(3R,4R)-3-cyclopropyl-4-methyl-1-(2-methyl-2-piperidin-1-ylpropyl)pyrrolidin-3-ol

C17H32N2O — CID 72933947

IUPAC(3R,4R)-3-cyclopropyl-4-methyl-1-(2-methyl-2-piperidin-1-ylpropyl)pyrrolidin-3-ol
SMILESC[C@@H]1CN(CC(C)(C)N2CCCCC2)C[C@@]1(O)C1CC1
InChIInChI=1S/C17H32N2O/c1-14-11-18(13-17(14,20)15-7-8-15)12-16(2,3)19-9-5-4-6-10-19/h14-15,20H,4-13H2,1-3H3/t14-,17+/m1/s1
InChIKeyQOCWTDQBJXXYFO-PBHICJAKSA-N
MW280.46 g/mol
LogP2.34
Rot. Bonds4

About (3R,4R)-3-cyclopropyl-4-methyl-1-(2-methyl-2-piperidin-1-ylpropyl)pyrrolidin-3-ol

(3R,4R)-3-cyclopropyl-4-methyl-1-(2-methyl-2-piperidin-1-ylpropyl)pyrrolidin-3-ol (PubChem CID 72933947) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is (3R,4R)-3-cyclopropyl-4-methyl-1-(2-methyl-2-piperidin-1-ylpropyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-3-cyclopropyl-4-methyl-1-(2-methyl-2-piperidin-1-ylpropyl)pyrrolidin-3-ol
PubChem CID72933947
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name(3R,4R)-3-cyclopropyl-4-methyl-1-(2-methyl-2-piperidin-1-ylpropyl)pyrrolidin-3-ol
SMILESC[C@@H]1CN(CC(C)(C)N2CCCCC2)C[C@@]1(O)C1CC1
InChIInChI=1S/C17H32N2O/c1-14-11-18(13-17(14,20)15-7-8-15)12-16(2,3)19-9-5-4-6-10-19/h14-15,20H,4-13H2,1-3H3/t14-,17+/m1/s1
InChIKeyQOCWTDQBJXXYFO-PBHICJAKSA-N
XLogP2.34
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-cyclopropyl-4-methyl-1-(2-methyl-2-piperidin-1-ylpropyl)pyrrolidin-3-ol?
The IUPAC name of (3R,4R)-3-cyclopropyl-4-methyl-1-(2-methyl-2-piperidin-1-ylpropyl)pyrrolidin-3-ol (CID 72933947) is (3R,4R)-3-cyclopropyl-4-methyl-1-(2-methyl-2-piperidin-1-ylpropyl)pyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-3-cyclopropyl-4-methyl-1-(2-methyl-2-piperidin-1-ylpropyl)pyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-3-cyclopropyl-4-methyl-1-(2-methyl-2-piperidin-1-ylpropyl)pyrrolidin-3-ol is C[C@@H]1CN(CC(C)(C)N2CCCCC2)C[C@@]1(O)C1CC1.
What is the InChIKey of (3R,4R)-3-cyclopropyl-4-methyl-1-(2-methyl-2-piperidin-1-ylpropyl)pyrrolidin-3-ol?
The InChIKey is QOCWTDQBJXXYFO-PBHICJAKSA-N. The full InChI is InChI=1S/C17H32N2O/c1-14-11-18(13-17(14,20)15-7-8-15)12-16(2,3)19-9-5-4-6-10-19/h14-15,20H,4-13H2,1-3H3/t14-,17+/m1/s1.
What are the key properties of (3R,4R)-3-cyclopropyl-4-methyl-1-(2-methyl-2-piperidin-1-ylpropyl)pyrrolidin-3-ol?
(3R,4R)-3-cyclopropyl-4-methyl-1-(2-methyl-2-piperidin-1-ylpropyl)pyrrolidin-3-ol has a molecular weight of 280.46 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-cyclopropyl-4-methyl-1-(2-methyl-2-piperidin-1-ylpropyl)pyrrolidin-3-ol is sourced from PubChem (CID 72933947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).