N-methyl-2-(4-methylphenoxy)-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride

C16H27ClN2O — CID 119929845

IUPACN-methyl-2-(4-methylphenoxy)-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride
SMILESCc1ccc(OCCN(C)CC2CCCNC2)cc1.Cl
InChIInChI=1S/C16H26N2O.ClH/c1-14-5-7-16(8-6-14)19-11-10-18(2)13-15-4-3-9-17-12-15;/h5-8,15,17H,3-4,9-13H2,1-2H3;1H
InChIKeyQRUDTYUONAWIDG-UHFFFAOYSA-N
MW298.86 g/mol
LogP2.73
Rot. Bonds6

About N-methyl-2-(4-methylphenoxy)-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride

N-methyl-2-(4-methylphenoxy)-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride (PubChem CID 119929845) has the molecular formula C16H27ClN2O and a molecular weight of 298.86 g/mol. Its IUPAC name is N-methyl-2-(4-methylphenoxy)-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride.

Molecular Properties

Compound NameN-methyl-2-(4-methylphenoxy)-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride
PubChem CID119929845
Molecular FormulaC16H27ClN2O
Molecular Weight298.86 g/mol
Exact Mass298.18
IUPAC NameN-methyl-2-(4-methylphenoxy)-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride
SMILESCc1ccc(OCCN(C)CC2CCCNC2)cc1.Cl
InChIInChI=1S/C16H26N2O.ClH/c1-14-5-7-16(8-6-14)19-11-10-18(2)13-15-4-3-9-17-12-15;/h5-8,15,17H,3-4,9-13H2,1-2H3;1H
InChIKeyQRUDTYUONAWIDG-UHFFFAOYSA-N
XLogP2.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.86
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methylphenoxy)ethyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106640448
N-methyl-2-(2-methylphenoxy)-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride
CID 119929851
3-[2-(4-methylphenoxy)ethyl]piperidine
CID 45075559
3-(3,4-dimethylphenoxy)-N-methyl-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106636309
2-(3-chlorophenoxy)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine
CID 103815664
2-(2-chlorophenoxy)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride
CID 119929847
2-(4-bromophenoxy)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine;hydrochloride
CID 119929603
N-[2-(4-bromophenoxy)ethyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106640788
N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 103815655
N-[(2-fluoro-5-methylphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride
CID 120850156
2-(2-methoxyethoxy)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine
CID 106636684
N-[(3,5-dimethylphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 106623795

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-methylphenoxy)-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride?
The IUPAC name of N-methyl-2-(4-methylphenoxy)-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride (CID 119929845) is N-methyl-2-(4-methylphenoxy)-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride.
What is the SMILES notation for N-methyl-2-(4-methylphenoxy)-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride?
The canonical SMILES for N-methyl-2-(4-methylphenoxy)-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride is Cc1ccc(OCCN(C)CC2CCCNC2)cc1.Cl.
What is the InChIKey of N-methyl-2-(4-methylphenoxy)-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride?
The InChIKey is QRUDTYUONAWIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O.ClH/c1-14-5-7-16(8-6-14)19-11-10-18(2)13-15-4-3-9-17-12-15;/h5-8,15,17H,3-4,9-13H2,1-2H3;1H.
What are the key properties of N-methyl-2-(4-methylphenoxy)-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride?
N-methyl-2-(4-methylphenoxy)-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride has a molecular weight of 298.86 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-methylphenoxy)-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride is sourced from PubChem (CID 119929845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).