(3-benzyl-2-methylpyrrolidin-1-yl)-(4-methoxypiperidin-4-yl)methanone;hydrochloride

C19H29ClN2O2 — CID 119806940

IUPAC(3-benzyl-2-methylpyrrolidin-1-yl)-(4-methoxypiperidin-4-yl)methanone;hydrochloride
SMILESCOC1(C(=O)N2CCC(Cc3ccccc3)C2C)CCNCC1.Cl
InChIInChI=1S/C19H28N2O2.ClH/c1-15-17(14-16-6-4-3-5-7-16)8-13-21(15)18(22)19(23-2)9-11-20-12-10-19;/h3-7,15,17,20H,8-14H2,1-2H3;1H
InChIKeyHUDCDWSRWBKRTP-UHFFFAOYSA-N
MW352.91 g/mol
LogP2.66
Rot. Bonds4

About (3-benzyl-2-methylpyrrolidin-1-yl)-(4-methoxypiperidin-4-yl)methanone;hydrochloride

(3-benzyl-2-methylpyrrolidin-1-yl)-(4-methoxypiperidin-4-yl)methanone;hydrochloride (PubChem CID 119806940) has the molecular formula C19H29ClN2O2 and a molecular weight of 352.91 g/mol. Its IUPAC name is (3-benzyl-2-methylpyrrolidin-1-yl)-(4-methoxypiperidin-4-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(3-benzyl-2-methylpyrrolidin-1-yl)-(4-methoxypiperidin-4-yl)methanone;hydrochloride
PubChem CID119806940
Molecular FormulaC19H29ClN2O2
Molecular Weight352.91 g/mol
Exact Mass352.19
IUPAC Name(3-benzyl-2-methylpyrrolidin-1-yl)-(4-methoxypiperidin-4-yl)methanone;hydrochloride
SMILESCOC1(C(=O)N2CCC(Cc3ccccc3)C2C)CCNCC1.Cl
InChIInChI=1S/C19H28N2O2.ClH/c1-15-17(14-16-6-4-3-5-7-16)8-13-21(15)18(22)19(23-2)9-11-20-12-10-19;/h3-7,15,17,20H,8-14H2,1-2H3;1H
InChIKeyHUDCDWSRWBKRTP-UHFFFAOYSA-N
XLogP2.66
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.91
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-benzyl-2-methylpyrrolidin-1-yl)-(4-methoxypiperidin-4-yl)methanone;hydrochloride?
The IUPAC name of (3-benzyl-2-methylpyrrolidin-1-yl)-(4-methoxypiperidin-4-yl)methanone;hydrochloride (CID 119806940) is (3-benzyl-2-methylpyrrolidin-1-yl)-(4-methoxypiperidin-4-yl)methanone;hydrochloride.
What is the SMILES notation for (3-benzyl-2-methylpyrrolidin-1-yl)-(4-methoxypiperidin-4-yl)methanone;hydrochloride?
The canonical SMILES for (3-benzyl-2-methylpyrrolidin-1-yl)-(4-methoxypiperidin-4-yl)methanone;hydrochloride is COC1(C(=O)N2CCC(Cc3ccccc3)C2C)CCNCC1.Cl.
What is the InChIKey of (3-benzyl-2-methylpyrrolidin-1-yl)-(4-methoxypiperidin-4-yl)methanone;hydrochloride?
The InChIKey is HUDCDWSRWBKRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2.ClH/c1-15-17(14-16-6-4-3-5-7-16)8-13-21(15)18(22)19(23-2)9-11-20-12-10-19;/h3-7,15,17,20H,8-14H2,1-2H3;1H.
What are the key properties of (3-benzyl-2-methylpyrrolidin-1-yl)-(4-methoxypiperidin-4-yl)methanone;hydrochloride?
(3-benzyl-2-methylpyrrolidin-1-yl)-(4-methoxypiperidin-4-yl)methanone;hydrochloride has a molecular weight of 352.91 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-benzyl-2-methylpyrrolidin-1-yl)-(4-methoxypiperidin-4-yl)methanone;hydrochloride is sourced from PubChem (CID 119806940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).