(2,2-dimethylpyrrolidin-1-yl)-[4-(4-hydroxypiperidin-1-yl)phenyl]methanone

C18H26N2O2 — CID 111538030

IUPAC(2,2-dimethylpyrrolidin-1-yl)-[4-(4-hydroxypiperidin-1-yl)phenyl]methanone
SMILESCC1(C)CCCN1C(=O)c1ccc(N2CCC(O)CC2)cc1
InChIInChI=1S/C18H26N2O2/c1-18(2)10-3-11-20(18)17(22)14-4-6-15(7-5-14)19-12-8-16(21)9-13-19/h4-7,16,21H,3,8-13H2,1-2H3
InChIKeyQTDVEYBYVRRSFO-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.66
Rot. Bonds2

About (2,2-dimethylpyrrolidin-1-yl)-[4-(4-hydroxypiperidin-1-yl)phenyl]methanone

(2,2-dimethylpyrrolidin-1-yl)-[4-(4-hydroxypiperidin-1-yl)phenyl]methanone (PubChem CID 111538030) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is (2,2-dimethylpyrrolidin-1-yl)-[4-(4-hydroxypiperidin-1-yl)phenyl]methanone.

Molecular Properties

Compound Name(2,2-dimethylpyrrolidin-1-yl)-[4-(4-hydroxypiperidin-1-yl)phenyl]methanone
PubChem CID111538030
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name(2,2-dimethylpyrrolidin-1-yl)-[4-(4-hydroxypiperidin-1-yl)phenyl]methanone
SMILESCC1(C)CCCN1C(=O)c1ccc(N2CCC(O)CC2)cc1
InChIInChI=1S/C18H26N2O2/c1-18(2)10-3-11-20(18)17(22)14-4-6-15(7-5-14)19-12-8-16(21)9-13-19/h4-7,16,21H,3,8-13H2,1-2H3
InChIKeyQTDVEYBYVRRSFO-UHFFFAOYSA-N
XLogP2.66
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylpyrrolidin-1-yl)-[4-(4-hydroxypiperidin-1-yl)phenyl]methanone?
The IUPAC name of (2,2-dimethylpyrrolidin-1-yl)-[4-(4-hydroxypiperidin-1-yl)phenyl]methanone (CID 111538030) is (2,2-dimethylpyrrolidin-1-yl)-[4-(4-hydroxypiperidin-1-yl)phenyl]methanone.
What is the SMILES notation for (2,2-dimethylpyrrolidin-1-yl)-[4-(4-hydroxypiperidin-1-yl)phenyl]methanone?
The canonical SMILES for (2,2-dimethylpyrrolidin-1-yl)-[4-(4-hydroxypiperidin-1-yl)phenyl]methanone is CC1(C)CCCN1C(=O)c1ccc(N2CCC(O)CC2)cc1.
What is the InChIKey of (2,2-dimethylpyrrolidin-1-yl)-[4-(4-hydroxypiperidin-1-yl)phenyl]methanone?
The InChIKey is QTDVEYBYVRRSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-18(2)10-3-11-20(18)17(22)14-4-6-15(7-5-14)19-12-8-16(21)9-13-19/h4-7,16,21H,3,8-13H2,1-2H3.
What are the key properties of (2,2-dimethylpyrrolidin-1-yl)-[4-(4-hydroxypiperidin-1-yl)phenyl]methanone?
(2,2-dimethylpyrrolidin-1-yl)-[4-(4-hydroxypiperidin-1-yl)phenyl]methanone has a molecular weight of 302.42 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylpyrrolidin-1-yl)-[4-(4-hydroxypiperidin-1-yl)phenyl]methanone is sourced from PubChem (CID 111538030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).