4-[[2-(3-methoxyphenyl)-4-methylpyrrolidin-1-yl]methyl]piperidine;hydrochloride

C18H29ClN2O — CID 120848891

IUPAC4-[[2-(3-methoxyphenyl)-4-methylpyrrolidin-1-yl]methyl]piperidine;hydrochloride
SMILESCOc1cccc(C2CC(C)CN2CC2CCNCC2)c1.Cl
InChIInChI=1S/C18H28N2O.ClH/c1-14-10-18(16-4-3-5-17(11-16)21-2)20(12-14)13-15-6-8-19-9-7-15;/h3-5,11,14-15,18-19H,6-10,12-13H2,1-2H3;1H
InChIKeyZASHYMCXSCNCQT-UHFFFAOYSA-N
MW324.90 g/mol
LogP3.50
Rot. Bonds4

About 4-[[2-(3-methoxyphenyl)-4-methylpyrrolidin-1-yl]methyl]piperidine;hydrochloride

4-[[2-(3-methoxyphenyl)-4-methylpyrrolidin-1-yl]methyl]piperidine;hydrochloride (PubChem CID 120848891) has the molecular formula C18H29ClN2O and a molecular weight of 324.90 g/mol. Its IUPAC name is 4-[[2-(3-methoxyphenyl)-4-methylpyrrolidin-1-yl]methyl]piperidine;hydrochloride.

Molecular Properties

Compound Name4-[[2-(3-methoxyphenyl)-4-methylpyrrolidin-1-yl]methyl]piperidine;hydrochloride
PubChem CID120848891
Molecular FormulaC18H29ClN2O
Molecular Weight324.90 g/mol
Exact Mass324.20
IUPAC Name4-[[2-(3-methoxyphenyl)-4-methylpyrrolidin-1-yl]methyl]piperidine;hydrochloride
SMILESCOc1cccc(C2CC(C)CN2CC2CCNCC2)c1.Cl
InChIInChI=1S/C18H28N2O.ClH/c1-14-10-18(16-4-3-5-17(11-16)21-2)20(12-14)13-15-6-8-19-9-7-15;/h3-5,11,14-15,18-19H,6-10,12-13H2,1-2H3;1H
InChIKeyZASHYMCXSCNCQT-UHFFFAOYSA-N
XLogP3.50
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.90
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxyphenyl)-4-methyl-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine;hydrochloride
CID 120903631
(3R,5R)-1-[(1,1-dioxothian-4-yl)methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 129346553
(3R,5S)-1-[(1,1-dioxothian-4-yl)methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 129346555
1-(cyclopropylmethyl)-2-(3-methoxyphenyl)pyrrolidine
CID 23361278
1-[2-[(2R,4R)-2-(3-methoxyphenyl)-4-methylpyrrolidin-1-yl]ethyl]imidazole
CID 124733917
7-methoxy-3-phenyl-2-(piperidin-4-ylmethyl)-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 119932291
4-[2-(3-methoxyphenoxy)ethyl]piperidine
CID 26192450
[5-(3-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanol
CID 121209485
1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 100849850
5-(3,4-difluorophenyl)-1-(piperidin-4-ylmethyl)pyrrolidin-3-ol;hydrochloride
CID 120855129
(3R,5S)-1-(2-ethoxyethyl)-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 129481356
4-[[2-(3-fluorophenyl)pyrrolidin-1-yl]methyl]piperidine;hydrochloride
CID 119930248

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-methoxyphenyl)-4-methylpyrrolidin-1-yl]methyl]piperidine;hydrochloride?
The IUPAC name of 4-[[2-(3-methoxyphenyl)-4-methylpyrrolidin-1-yl]methyl]piperidine;hydrochloride (CID 120848891) is 4-[[2-(3-methoxyphenyl)-4-methylpyrrolidin-1-yl]methyl]piperidine;hydrochloride.
What is the SMILES notation for 4-[[2-(3-methoxyphenyl)-4-methylpyrrolidin-1-yl]methyl]piperidine;hydrochloride?
The canonical SMILES for 4-[[2-(3-methoxyphenyl)-4-methylpyrrolidin-1-yl]methyl]piperidine;hydrochloride is COc1cccc(C2CC(C)CN2CC2CCNCC2)c1.Cl.
What is the InChIKey of 4-[[2-(3-methoxyphenyl)-4-methylpyrrolidin-1-yl]methyl]piperidine;hydrochloride?
The InChIKey is ZASHYMCXSCNCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O.ClH/c1-14-10-18(16-4-3-5-17(11-16)21-2)20(12-14)13-15-6-8-19-9-7-15;/h3-5,11,14-15,18-19H,6-10,12-13H2,1-2H3;1H.
What are the key properties of 4-[[2-(3-methoxyphenyl)-4-methylpyrrolidin-1-yl]methyl]piperidine;hydrochloride?
4-[[2-(3-methoxyphenyl)-4-methylpyrrolidin-1-yl]methyl]piperidine;hydrochloride has a molecular weight of 324.90 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3-methoxyphenyl)-4-methylpyrrolidin-1-yl]methyl]piperidine;hydrochloride is sourced from PubChem (CID 120848891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).