4-methoxy-N-[1-(1-methylpiperidin-4-yl)ethyl]butan-2-amine

C13H28N2O — CID 64604411

IUPAC4-methoxy-N-[1-(1-methylpiperidin-4-yl)ethyl]butan-2-amine
SMILESCOCCC(C)NC(C)C1CCN(C)CC1
InChIInChI=1S/C13H28N2O/c1-11(7-10-16-4)14-12(2)13-5-8-15(3)9-6-13/h11-14H,5-10H2,1-4H3
InChIKeyDVQNKOVGBURHRM-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.73
Rot. Bonds6

About 4-methoxy-N-[1-(1-methylpiperidin-4-yl)ethyl]butan-2-amine

4-methoxy-N-[1-(1-methylpiperidin-4-yl)ethyl]butan-2-amine (PubChem CID 64604411) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 4-methoxy-N-[1-(1-methylpiperidin-4-yl)ethyl]butan-2-amine.

Molecular Properties

Compound Name4-methoxy-N-[1-(1-methylpiperidin-4-yl)ethyl]butan-2-amine
PubChem CID64604411
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name4-methoxy-N-[1-(1-methylpiperidin-4-yl)ethyl]butan-2-amine
SMILESCOCCC(C)NC(C)C1CCN(C)CC1
InChIInChI=1S/C13H28N2O/c1-11(7-10-16-4)14-12(2)13-5-8-15(3)9-6-13/h11-14H,5-10H2,1-4H3
InChIKeyDVQNKOVGBURHRM-UHFFFAOYSA-N
XLogP1.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-cyclopentylethyl]-4-methoxybutan-2-amine
CID 81385535
N-[1-(1-methylpiperidin-4-yl)ethyl]hexan-2-amine
CID 62196752
N-[1-(1-methylpiperidin-4-yl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 54952865
1-methoxy-N-[1-(1-propylpiperidin-4-yl)ethyl]propan-2-amine
CID 43307539
2-[1-(1-ethylpiperidin-4-yl)ethylamino]-4-methoxybutan-1-ol
CID 114210339
N-(1-cyclopropylethyl)butan-2-amine
CID 43190238
N-[(1S)-1-cyclopentylethyl]-1-methoxypropan-2-amine
CID 81385867
2-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]propan-1-amine
CID 43307393
1-(1-methylpiperidin-4-yl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 104584745
N-(1-cyclopropylethyl)hexan-2-amine
CID 43776552
1-(4-chlorophenyl)-N-[1-(1-methylpiperidin-4-yl)ethyl]propan-2-amine
CID 43677582
N-[1-(1-methylpiperidin-4-yl)ethyl]but-3-yn-2-amine
CID 114415483

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[1-(1-methylpiperidin-4-yl)ethyl]butan-2-amine?
The IUPAC name of 4-methoxy-N-[1-(1-methylpiperidin-4-yl)ethyl]butan-2-amine (CID 64604411) is 4-methoxy-N-[1-(1-methylpiperidin-4-yl)ethyl]butan-2-amine.
What is the SMILES notation for 4-methoxy-N-[1-(1-methylpiperidin-4-yl)ethyl]butan-2-amine?
The canonical SMILES for 4-methoxy-N-[1-(1-methylpiperidin-4-yl)ethyl]butan-2-amine is COCCC(C)NC(C)C1CCN(C)CC1.
What is the InChIKey of 4-methoxy-N-[1-(1-methylpiperidin-4-yl)ethyl]butan-2-amine?
The InChIKey is DVQNKOVGBURHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-11(7-10-16-4)14-12(2)13-5-8-15(3)9-6-13/h11-14H,5-10H2,1-4H3.
What are the key properties of 4-methoxy-N-[1-(1-methylpiperidin-4-yl)ethyl]butan-2-amine?
4-methoxy-N-[1-(1-methylpiperidin-4-yl)ethyl]butan-2-amine has a molecular weight of 228.38 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[1-(1-methylpiperidin-4-yl)ethyl]butan-2-amine is sourced from PubChem (CID 64604411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).