2-(3-methoxy-4-methylpiperidin-1-yl)-N-(2-methylpropyl)pentan-1-amine

C16H34N2O — CID 102967967

IUPAC2-(3-methoxy-4-methylpiperidin-1-yl)-N-(2-methylpropyl)pentan-1-amine
SMILESCCCC(CNCC(C)C)N1CCC(C)C(OC)C1
InChIInChI=1S/C16H34N2O/c1-6-7-15(11-17-10-13(2)3)18-9-8-14(4)16(12-18)19-5/h13-17H,6-12H2,1-5H3
InChIKeyAHCOHCDDTSESFB-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.76
Rot. Bonds8

About 2-(3-methoxy-4-methylpiperidin-1-yl)-N-(2-methylpropyl)pentan-1-amine

2-(3-methoxy-4-methylpiperidin-1-yl)-N-(2-methylpropyl)pentan-1-amine (PubChem CID 102967967) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 2-(3-methoxy-4-methylpiperidin-1-yl)-N-(2-methylpropyl)pentan-1-amine.

Molecular Properties

Compound Name2-(3-methoxy-4-methylpiperidin-1-yl)-N-(2-methylpropyl)pentan-1-amine
PubChem CID102967967
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name2-(3-methoxy-4-methylpiperidin-1-yl)-N-(2-methylpropyl)pentan-1-amine
SMILESCCCC(CNCC(C)C)N1CCC(C)C(OC)C1
InChIInChI=1S/C16H34N2O/c1-6-7-15(11-17-10-13(2)3)18-9-8-14(4)16(12-18)19-5/h13-17H,6-12H2,1-5H3
InChIKeyAHCOHCDDTSESFB-UHFFFAOYSA-N
XLogP2.76
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methoxy-4-methylpiperidin-1-yl)-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 102967905
3-methoxy-2-(3-methoxy-4-methylpiperidin-1-yl)-N-methylpropan-1-amine
CID 103227407
N-(2-methylpropyl)-2-(3,4,5-trimethylpiperazin-1-yl)pentan-1-amine
CID 114540171
N-ethyl-2-(4-methoxypiperidin-1-yl)pentan-1-amine
CID 83054819
N-(2-methylpropyl)-2-morpholin-4-ylpentan-1-amine
CID 83042710
2-(4-butan-2-ylpiperazin-1-yl)-N-(2-methylpropyl)pentan-1-amine
CID 83054308
3-(3-methoxy-4-methylpiperidin-1-yl)-N-propan-2-ylbutan-1-amine
CID 102968014
2-(3-methoxy-4-methylpiperidin-1-yl)pentan-3-one
CID 102960462
2-(3,4-dimethoxypyrrolidin-1-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 103540000
4,4-dimethoxy-2-(3-methoxy-4-methylpiperidin-1-yl)butan-1-amine
CID 102964864
2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propan-2-ylpentan-1-amine
CID 83055159
N-[2-(4-methoxypiperidin-1-yl)propyl]-2-methylpropan-1-amine
CID 62420010

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-4-methylpiperidin-1-yl)-N-(2-methylpropyl)pentan-1-amine?
The IUPAC name of 2-(3-methoxy-4-methylpiperidin-1-yl)-N-(2-methylpropyl)pentan-1-amine (CID 102967967) is 2-(3-methoxy-4-methylpiperidin-1-yl)-N-(2-methylpropyl)pentan-1-amine.
What is the SMILES notation for 2-(3-methoxy-4-methylpiperidin-1-yl)-N-(2-methylpropyl)pentan-1-amine?
The canonical SMILES for 2-(3-methoxy-4-methylpiperidin-1-yl)-N-(2-methylpropyl)pentan-1-amine is CCCC(CNCC(C)C)N1CCC(C)C(OC)C1.
What is the InChIKey of 2-(3-methoxy-4-methylpiperidin-1-yl)-N-(2-methylpropyl)pentan-1-amine?
The InChIKey is AHCOHCDDTSESFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-6-7-15(11-17-10-13(2)3)18-9-8-14(4)16(12-18)19-5/h13-17H,6-12H2,1-5H3.
What are the key properties of 2-(3-methoxy-4-methylpiperidin-1-yl)-N-(2-methylpropyl)pentan-1-amine?
2-(3-methoxy-4-methylpiperidin-1-yl)-N-(2-methylpropyl)pentan-1-amine has a molecular weight of 270.46 g/mol, XLogP of 2.76, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-4-methylpiperidin-1-yl)-N-(2-methylpropyl)pentan-1-amine is sourced from PubChem (CID 102967967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).