N-methyl-4-[1-(2-methylpropyl)piperidin-4-yl]oxybutan-1-amine

C14H30N2O — CID 155455465

IUPACN-methyl-4-[1-(2-methylpropyl)piperidin-4-yl]oxybutan-1-amine
SMILESCNCCCCOC1CCN(CC(C)C)CC1
InChIInChI=1S/C14H30N2O/c1-13(2)12-16-9-6-14(7-10-16)17-11-5-4-8-15-3/h13-15H,4-12H2,1-3H3
InChIKeyJVEMVCSHSGAGIT-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.12
Rot. Bonds8

About N-methyl-4-[1-(2-methylpropyl)piperidin-4-yl]oxybutan-1-amine

N-methyl-4-[1-(2-methylpropyl)piperidin-4-yl]oxybutan-1-amine (PubChem CID 155455465) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is N-methyl-4-[1-(2-methylpropyl)piperidin-4-yl]oxybutan-1-amine.

Molecular Properties

Compound NameN-methyl-4-[1-(2-methylpropyl)piperidin-4-yl]oxybutan-1-amine
PubChem CID155455465
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC NameN-methyl-4-[1-(2-methylpropyl)piperidin-4-yl]oxybutan-1-amine
SMILESCNCCCCOC1CCN(CC(C)C)CC1
InChIInChI=1S/C14H30N2O/c1-13(2)12-16-9-6-14(7-10-16)17-11-5-4-8-15-3/h13-15H,4-12H2,1-3H3
InChIKeyJVEMVCSHSGAGIT-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.12
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-3-[[1-(2-methylpropyl)piperidin-4-yl]methoxy]propan-1-amine
CID 155189204
N,N-dimethyl-3-[1-(2-methylpropyl)piperidin-4-yl]oxypropan-1-amine
CID 169214901
N-methyl-3-(1-methylpiperidin-4-yl)oxypropan-1-amine
CID 62442293
methane;N-methyl-3-[1-(2-methylpropyl)piperidin-4-yl]oxy-N-propan-2-ylpropan-1-amine
CID 167687218
4-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-(2-methylpropyl)piperidine
CID 166035331
N-methyl-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine
CID 62775254
3-cyclopentyloxy-N-methylpropan-1-amine
CID 62444438
2-(1-butylpiperidin-4-yl)oxy-N-methylethanamine
CID 134580010
N-methyl-2-(1-propylpiperidin-4-yl)oxyethanamine
CID 126619941
5-[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]oxypentane-2-thiol
CID 167243371
4-butoxy-1-(5-methylhexyl)piperidine
CID 156530555
1-[4-[2-(propan-2-ylamino)ethoxy]piperidin-1-yl]propane-2-thiol
CID 166733114

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[1-(2-methylpropyl)piperidin-4-yl]oxybutan-1-amine?
The IUPAC name of N-methyl-4-[1-(2-methylpropyl)piperidin-4-yl]oxybutan-1-amine (CID 155455465) is N-methyl-4-[1-(2-methylpropyl)piperidin-4-yl]oxybutan-1-amine.
What is the SMILES notation for N-methyl-4-[1-(2-methylpropyl)piperidin-4-yl]oxybutan-1-amine?
The canonical SMILES for N-methyl-4-[1-(2-methylpropyl)piperidin-4-yl]oxybutan-1-amine is CNCCCCOC1CCN(CC(C)C)CC1.
What is the InChIKey of N-methyl-4-[1-(2-methylpropyl)piperidin-4-yl]oxybutan-1-amine?
The InChIKey is JVEMVCSHSGAGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-13(2)12-16-9-6-14(7-10-16)17-11-5-4-8-15-3/h13-15H,4-12H2,1-3H3.
What are the key properties of N-methyl-4-[1-(2-methylpropyl)piperidin-4-yl]oxybutan-1-amine?
N-methyl-4-[1-(2-methylpropyl)piperidin-4-yl]oxybutan-1-amine has a molecular weight of 242.41 g/mol, XLogP of 2.12, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[1-(2-methylpropyl)piperidin-4-yl]oxybutan-1-amine is sourced from PubChem (CID 155455465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).