4-(3,4-dimethylphenoxy)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine;hydrochloride

C19H31ClN2O — CID 120899372

IUPAC4-(3,4-dimethylphenoxy)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine;hydrochloride
SMILESCc1ccc(OC2CCN(CC3(C)CCNC3)CC2)cc1C.Cl
InChIInChI=1S/C19H30N2O.ClH/c1-15-4-5-18(12-16(15)2)22-17-6-10-21(11-7-17)14-19(3)8-9-20-13-19;/h4-5,12,17,20H,6-11,13-14H2,1-3H3;1H
InChIKeyJSQLNDTXHHMSCO-UHFFFAOYSA-N
MW338.92 g/mol
LogP3.57
Rot. Bonds4

About 4-(3,4-dimethylphenoxy)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine;hydrochloride

4-(3,4-dimethylphenoxy)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine;hydrochloride (PubChem CID 120899372) has the molecular formula C19H31ClN2O and a molecular weight of 338.92 g/mol. Its IUPAC name is 4-(3,4-dimethylphenoxy)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine;hydrochloride.

Molecular Properties

Compound Name4-(3,4-dimethylphenoxy)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine;hydrochloride
PubChem CID120899372
Molecular FormulaC19H31ClN2O
Molecular Weight338.92 g/mol
Exact Mass338.21
IUPAC Name4-(3,4-dimethylphenoxy)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine;hydrochloride
SMILESCc1ccc(OC2CCN(CC3(C)CCNC3)CC2)cc1C.Cl
InChIInChI=1S/C19H30N2O.ClH/c1-15-4-5-18(12-16(15)2)22-17-6-10-21(11-7-17)14-19(3)8-9-20-13-19;/h4-5,12,17,20H,6-11,13-14H2,1-3H3;1H
InChIKeyJSQLNDTXHHMSCO-UHFFFAOYSA-N
XLogP3.57
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.92
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylphenoxy)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine;hydrochloride?
The IUPAC name of 4-(3,4-dimethylphenoxy)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine;hydrochloride (CID 120899372) is 4-(3,4-dimethylphenoxy)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine;hydrochloride.
What is the SMILES notation for 4-(3,4-dimethylphenoxy)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine;hydrochloride?
The canonical SMILES for 4-(3,4-dimethylphenoxy)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine;hydrochloride is Cc1ccc(OC2CCN(CC3(C)CCNC3)CC2)cc1C.Cl.
What is the InChIKey of 4-(3,4-dimethylphenoxy)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine;hydrochloride?
The InChIKey is JSQLNDTXHHMSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O.ClH/c1-15-4-5-18(12-16(15)2)22-17-6-10-21(11-7-17)14-19(3)8-9-20-13-19;/h4-5,12,17,20H,6-11,13-14H2,1-3H3;1H.
What are the key properties of 4-(3,4-dimethylphenoxy)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine;hydrochloride?
4-(3,4-dimethylphenoxy)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine;hydrochloride has a molecular weight of 338.92 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylphenoxy)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine;hydrochloride is sourced from PubChem (CID 120899372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).