N-methyl-2-(1-methylpiperidin-2-yl)-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine;hydrochloride

C15H32ClN3 — CID 120901057

IUPACN-methyl-2-(1-methylpiperidin-2-yl)-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine;hydrochloride
SMILESCN(CCC1CCCCN1C)CC1(C)CCNC1.Cl
InChIInChI=1S/C15H31N3.ClH/c1-15(8-9-16-12-15)13-17(2)11-7-14-6-4-5-10-18(14)3;/h14,16H,4-13H2,1-3H3;1H
InChIKeyPJFYOFTVSPOQKU-UHFFFAOYSA-N
MW289.89 g/mol
LogP2.21
Rot. Bonds5

About N-methyl-2-(1-methylpiperidin-2-yl)-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine;hydrochloride

N-methyl-2-(1-methylpiperidin-2-yl)-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine;hydrochloride (PubChem CID 120901057) has the molecular formula C15H32ClN3 and a molecular weight of 289.89 g/mol. Its IUPAC name is N-methyl-2-(1-methylpiperidin-2-yl)-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine;hydrochloride.

Molecular Properties

Compound NameN-methyl-2-(1-methylpiperidin-2-yl)-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine;hydrochloride
PubChem CID120901057
Molecular FormulaC15H32ClN3
Molecular Weight289.89 g/mol
Exact Mass289.23
IUPAC NameN-methyl-2-(1-methylpiperidin-2-yl)-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine;hydrochloride
SMILESCN(CCC1CCCCN1C)CC1(C)CCNC1.Cl
InChIInChI=1S/C15H31N3.ClH/c1-15(8-9-16-12-15)13-17(2)11-7-14-6-4-5-10-18(14)3;/h14,16H,4-13H2,1-3H3;1H
InChIKeyPJFYOFTVSPOQKU-UHFFFAOYSA-N
XLogP2.21
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.89
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1-methylpiperidin-2-yl)-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine;hydrochloride?
The IUPAC name of N-methyl-2-(1-methylpiperidin-2-yl)-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine;hydrochloride (CID 120901057) is N-methyl-2-(1-methylpiperidin-2-yl)-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine;hydrochloride.
What is the SMILES notation for N-methyl-2-(1-methylpiperidin-2-yl)-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine;hydrochloride?
The canonical SMILES for N-methyl-2-(1-methylpiperidin-2-yl)-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine;hydrochloride is CN(CCC1CCCCN1C)CC1(C)CCNC1.Cl.
What is the InChIKey of N-methyl-2-(1-methylpiperidin-2-yl)-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine;hydrochloride?
The InChIKey is PJFYOFTVSPOQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3.ClH/c1-15(8-9-16-12-15)13-17(2)11-7-14-6-4-5-10-18(14)3;/h14,16H,4-13H2,1-3H3;1H.
What are the key properties of N-methyl-2-(1-methylpiperidin-2-yl)-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine;hydrochloride?
N-methyl-2-(1-methylpiperidin-2-yl)-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine;hydrochloride has a molecular weight of 289.89 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1-methylpiperidin-2-yl)-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine;hydrochloride is sourced from PubChem (CID 120901057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).