2-(1-butylpiperidin-4-yl)oxy-N-methylethanamine

C12H26N2O — CID 134580010

IUPAC2-(1-butylpiperidin-4-yl)oxy-N-methylethanamine
SMILESCCCCN1CCC(OCCNC)CC1
InChIInChI=1S/C12H26N2O/c1-3-4-8-14-9-5-12(6-10-14)15-11-7-13-2/h12-13H,3-11H2,1-2H3
InChIKeyGWTNSGIDAUJMGN-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.49
Rot. Bonds7

About 2-(1-butylpiperidin-4-yl)oxy-N-methylethanamine

2-(1-butylpiperidin-4-yl)oxy-N-methylethanamine (PubChem CID 134580010) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-(1-butylpiperidin-4-yl)oxy-N-methylethanamine.

Molecular Properties

Compound Name2-(1-butylpiperidin-4-yl)oxy-N-methylethanamine
PubChem CID134580010
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name2-(1-butylpiperidin-4-yl)oxy-N-methylethanamine
SMILESCCCCN1CCC(OCCNC)CC1
InChIInChI=1S/C12H26N2O/c1-3-4-8-14-9-5-12(6-10-14)15-11-7-13-2/h12-13H,3-11H2,1-2H3
InChIKeyGWTNSGIDAUJMGN-UHFFFAOYSA-N
XLogP1.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.49
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

N-methyl-2-(1-propylpiperidin-4-yl)oxyethanamine
CID 126619941
4-butoxy-1-(5-methylhexyl)piperidine
CID 156530555
N-methyl-3-(1-methylpiperidin-4-yl)oxypropan-1-amine
CID 62442293
(4-butoxypiperidin-1-yl)methanamine
CID 142616316
ethane;4-propoxy-1-propylpiperidine
CID 156867917
4-butoxy-1-methylpiperidine;ethane
CID 143443948
3-pentoxy-1-pentylpyrrolidine
CID 67812349
1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-methylpiperidin-4-amine
CID 104560353
N-methyl-4-[1-(2-methylpropyl)piperidin-4-yl]oxybutan-1-amine
CID 155455465
4-[2-(1-methylazetidin-3-yl)oxyethoxy]-1-propylpiperidine
CID 156885066
4-(2-bromoethoxy)-1-propylpiperidine
CID 82691689
N-(2-cyclohexyloxyethyl)-1-propylpiperidin-4-amine
CID 63826760

Frequently Asked Questions

What is the IUPAC name of 2-(1-butylpiperidin-4-yl)oxy-N-methylethanamine?
The IUPAC name of 2-(1-butylpiperidin-4-yl)oxy-N-methylethanamine (CID 134580010) is 2-(1-butylpiperidin-4-yl)oxy-N-methylethanamine.
What is the SMILES notation for 2-(1-butylpiperidin-4-yl)oxy-N-methylethanamine?
The canonical SMILES for 2-(1-butylpiperidin-4-yl)oxy-N-methylethanamine is CCCCN1CCC(OCCNC)CC1.
What is the InChIKey of 2-(1-butylpiperidin-4-yl)oxy-N-methylethanamine?
The InChIKey is GWTNSGIDAUJMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-3-4-8-14-9-5-12(6-10-14)15-11-7-13-2/h12-13H,3-11H2,1-2H3.
What are the key properties of 2-(1-butylpiperidin-4-yl)oxy-N-methylethanamine?
2-(1-butylpiperidin-4-yl)oxy-N-methylethanamine has a molecular weight of 214.35 g/mol, XLogP of 1.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butylpiperidin-4-yl)oxy-N-methylethanamine is sourced from PubChem (CID 134580010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).