[4-methyl-1-(2-propoxyethyl)piperidin-4-yl]methanamine

C12H26N2O — CID 107160532

IUPAC[4-methyl-1-(2-propoxyethyl)piperidin-4-yl]methanamine
SMILESCCCOCCN1CCC(C)(CN)CC1
InChIInChI=1S/C12H26N2O/c1-3-9-15-10-8-14-6-4-12(2,11-13)5-7-14/h3-11,13H2,1-2H3
InChIKeyDZTKOYVMQFRNDS-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.47
Rot. Bonds6

About [4-methyl-1-(2-propoxyethyl)piperidin-4-yl]methanamine

[4-methyl-1-(2-propoxyethyl)piperidin-4-yl]methanamine (PubChem CID 107160532) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is [4-methyl-1-(2-propoxyethyl)piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-1-(2-propoxyethyl)piperidin-4-yl]methanamine
PubChem CID107160532
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name[4-methyl-1-(2-propoxyethyl)piperidin-4-yl]methanamine
SMILESCCCOCCN1CCC(C)(CN)CC1
InChIInChI=1S/C12H26N2O/c1-3-9-15-10-8-14-6-4-12(2,11-13)5-7-14/h3-11,13H2,1-2H3
InChIKeyDZTKOYVMQFRNDS-UHFFFAOYSA-N
XLogP1.47
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[1-[2-(2-methoxyethoxy)ethyl]-4-methylpiperidin-4-yl]methanamine
CID 107160604
[4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methanamine
CID 107160540
N-methyl-1-[3-methyl-1-(2-propoxyethyl)pyrrolidin-3-yl]methanamine
CID 106318664
1-[2-(2-chloroethoxy)ethyl]-4-ethyl-4-methylpiperidine
CID 63666893
4-methoxy-1-(2-propoxyethyl)piperidine-4-carbothioamide
CID 114284265
[1-[2-(4-methoxyphenoxy)ethyl]-4-methylpiperidin-4-yl]methanamine
CID 107160736
1-(2-ethoxyethyl)-4,4-dimethylpiperidine
CID 142902694
3-methyl-1-(2-propoxyethyl)pyrrolidine-3-carboxylic acid
CID 106454697
2-[1-(2-propoxyethyl)piperidin-4-yl]ethanamine
CID 106453449
2-[2-(4,4-dimethylazepan-1-yl)ethoxy]ethanamine
CID 79478625
ethane;4-(2-propoxyethyl)morpholine
CID 154661305
[3-methyl-1-[2-(2-phenoxyethoxy)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 120771836

Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-(2-propoxyethyl)piperidin-4-yl]methanamine?
The IUPAC name of [4-methyl-1-(2-propoxyethyl)piperidin-4-yl]methanamine (CID 107160532) is [4-methyl-1-(2-propoxyethyl)piperidin-4-yl]methanamine.
What is the SMILES notation for [4-methyl-1-(2-propoxyethyl)piperidin-4-yl]methanamine?
The canonical SMILES for [4-methyl-1-(2-propoxyethyl)piperidin-4-yl]methanamine is CCCOCCN1CCC(C)(CN)CC1.
What is the InChIKey of [4-methyl-1-(2-propoxyethyl)piperidin-4-yl]methanamine?
The InChIKey is DZTKOYVMQFRNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-3-9-15-10-8-14-6-4-12(2,11-13)5-7-14/h3-11,13H2,1-2H3.
What are the key properties of [4-methyl-1-(2-propoxyethyl)piperidin-4-yl]methanamine?
[4-methyl-1-(2-propoxyethyl)piperidin-4-yl]methanamine has a molecular weight of 214.35 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-(2-propoxyethyl)piperidin-4-yl]methanamine is sourced from PubChem (CID 107160532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).