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

C14H29ClN2O — CID 120904295

IUPAC4-(methoxymethyl)-4-methyl-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine;hydrochloride
SMILESCOCC1(C)CCN(CC2(C)CCNC2)CC1.Cl
InChIInChI=1S/C14H28N2O.ClH/c1-13(12-17-3)5-8-16(9-6-13)11-14(2)4-7-15-10-14;/h15H,4-12H2,1-3H3;1H
InChIKeyVONYBEOFOJYRFV-UHFFFAOYSA-N
MW276.85 g/mol
LogP2.16
Rot. Bonds4

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

4-(methoxymethyl)-4-methyl-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine;hydrochloride (PubChem CID 120904295) has the molecular formula C14H29ClN2O and a molecular weight of 276.85 g/mol. Its IUPAC name is 4-(methoxymethyl)-4-methyl-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine;hydrochloride.

Molecular Properties

Compound Name4-(methoxymethyl)-4-methyl-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine;hydrochloride
PubChem CID120904295
Molecular FormulaC14H29ClN2O
Molecular Weight276.85 g/mol
Exact Mass276.20
IUPAC Name4-(methoxymethyl)-4-methyl-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine;hydrochloride
SMILESCOCC1(C)CCN(CC2(C)CCNC2)CC1.Cl
InChIInChI=1S/C14H28N2O.ClH/c1-13(12-17-3)5-8-16(9-6-13)11-14(2)4-7-15-10-14;/h15H,4-12H2,1-3H3;1H
InChIKeyVONYBEOFOJYRFV-UHFFFAOYSA-N
XLogP2.16
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.85
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-4-methyl-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine;hydrochloride?
The IUPAC name of 4-(methoxymethyl)-4-methyl-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine;hydrochloride (CID 120904295) is 4-(methoxymethyl)-4-methyl-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine;hydrochloride.
What is the SMILES notation for 4-(methoxymethyl)-4-methyl-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine;hydrochloride?
The canonical SMILES for 4-(methoxymethyl)-4-methyl-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine;hydrochloride is COCC1(C)CCN(CC2(C)CCNC2)CC1.Cl.
What is the InChIKey of 4-(methoxymethyl)-4-methyl-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine;hydrochloride?
The InChIKey is VONYBEOFOJYRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O.ClH/c1-13(12-17-3)5-8-16(9-6-13)11-14(2)4-7-15-10-14;/h15H,4-12H2,1-3H3;1H.
What are the key properties of 4-(methoxymethyl)-4-methyl-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine;hydrochloride?
4-(methoxymethyl)-4-methyl-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine;hydrochloride has a molecular weight of 276.85 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-4-methyl-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine;hydrochloride is sourced from PubChem (CID 120904295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).