[1-(2-methoxyethyl)-4-(4-methylphenyl)piperidin-4-yl]methanamine

C16H26N2O — CID 95468614

IUPAC[1-(2-methoxyethyl)-4-(4-methylphenyl)piperidin-4-yl]methanamine
SMILESCOCCN1CCC(CN)(c2ccc(C)cc2)CC1
InChIInChI=1S/C16H26N2O/c1-14-3-5-15(6-4-14)16(13-17)7-9-18(10-8-16)11-12-19-2/h3-6H,7-13,17H2,1-2H3
InChIKeyKEFMBQKUUITNEV-UHFFFAOYSA-N
MW262.40 g/mol
LogP1.93
Rot. Bonds5

About [1-(2-methoxyethyl)-4-(4-methylphenyl)piperidin-4-yl]methanamine

[1-(2-methoxyethyl)-4-(4-methylphenyl)piperidin-4-yl]methanamine (PubChem CID 95468614) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is [1-(2-methoxyethyl)-4-(4-methylphenyl)piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-(2-methoxyethyl)-4-(4-methylphenyl)piperidin-4-yl]methanamine
PubChem CID95468614
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name[1-(2-methoxyethyl)-4-(4-methylphenyl)piperidin-4-yl]methanamine
SMILESCOCCN1CCC(CN)(c2ccc(C)cc2)CC1
InChIInChI=1S/C16H26N2O/c1-14-3-5-15(6-4-14)16(13-17)7-9-18(10-8-16)11-12-19-2/h3-6H,7-13,17H2,1-2H3
InChIKeyKEFMBQKUUITNEV-UHFFFAOYSA-N
XLogP1.93
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-methoxyethyl)piperazin-1-yl]methanamine
CID 146312052
[1-benzyl-4-(4-methoxyphenyl)piperidin-4-yl]methanamine
CID 95504616
[1-[4-(3-methoxypropyl)phenyl]cyclobutyl]methanamine
CID 117113157
2-methoxy-N-[[5-(4-methylphenyl)spiro[2.3]hexan-5-yl]methyl]ethanamine
CID 65008191
N-hydroxy-1-(2-methoxyethyl)-4-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 142247511
ethane;1-(2-methoxyethyl)-4,4-dimethylpiperidine
CID 144858617
4-[4-(2-methoxyethyl)piperazin-1-yl]-3-methylaniline
CID 66617388
1-(2-methoxyethyl)-4-[3-[(5-methyl-2-pyridinyl)oxy]propyl]piperazine
CID 135172513
1-(2-methoxyethyl)-4-(4-phenylphenyl)piperazine
CID 175772124
[4-(1,3-benzodioxol-5-yl)-1-propylpiperidin-4-yl]methanamine
CID 95479252
1-(2-methoxyethyl)-4,4-di(propan-2-yl)piperidine
CID 21069094
1-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]piperidin-4-ol
CID 59020094

Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxyethyl)-4-(4-methylphenyl)piperidin-4-yl]methanamine?
The IUPAC name of [1-(2-methoxyethyl)-4-(4-methylphenyl)piperidin-4-yl]methanamine (CID 95468614) is [1-(2-methoxyethyl)-4-(4-methylphenyl)piperidin-4-yl]methanamine.
What is the SMILES notation for [1-(2-methoxyethyl)-4-(4-methylphenyl)piperidin-4-yl]methanamine?
The canonical SMILES for [1-(2-methoxyethyl)-4-(4-methylphenyl)piperidin-4-yl]methanamine is COCCN1CCC(CN)(c2ccc(C)cc2)CC1.
What is the InChIKey of [1-(2-methoxyethyl)-4-(4-methylphenyl)piperidin-4-yl]methanamine?
The InChIKey is KEFMBQKUUITNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-14-3-5-15(6-4-14)16(13-17)7-9-18(10-8-16)11-12-19-2/h3-6H,7-13,17H2,1-2H3.
What are the key properties of [1-(2-methoxyethyl)-4-(4-methylphenyl)piperidin-4-yl]methanamine?
[1-(2-methoxyethyl)-4-(4-methylphenyl)piperidin-4-yl]methanamine has a molecular weight of 262.40 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxyethyl)-4-(4-methylphenyl)piperidin-4-yl]methanamine is sourced from PubChem (CID 95468614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).