N-[2-(4-methoxypiperidin-1-yl)propyl]-2-methylpropan-1-amine

C13H28N2O — CID 62420010

IUPACN-[2-(4-methoxypiperidin-1-yl)propyl]-2-methylpropan-1-amine
SMILESCOC1CCN(C(C)CNCC(C)C)CC1
InChIInChI=1S/C13H28N2O/c1-11(2)9-14-10-12(3)15-7-5-13(16-4)6-8-15/h11-14H,5-10H2,1-4H3
InChIKeyDYPMWUMXWAJFAI-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.73
Rot. Bonds6

About N-[2-(4-methoxypiperidin-1-yl)propyl]-2-methylpropan-1-amine

N-[2-(4-methoxypiperidin-1-yl)propyl]-2-methylpropan-1-amine (PubChem CID 62420010) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N-[2-(4-methoxypiperidin-1-yl)propyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(4-methoxypiperidin-1-yl)propyl]-2-methylpropan-1-amine
PubChem CID62420010
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN-[2-(4-methoxypiperidin-1-yl)propyl]-2-methylpropan-1-amine
SMILESCOC1CCN(C(C)CNCC(C)C)CC1
InChIInChI=1S/C13H28N2O/c1-11(2)9-14-10-12(3)15-7-5-13(16-4)6-8-15/h11-14H,5-10H2,1-4H3
InChIKeyDYPMWUMXWAJFAI-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

1-(4-methoxypiperidin-1-yl)-3-(2-methylpropylamino)propan-2-ol
CID 115474913
N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]propyl]-2-methylpropan-1-amine
CID 55073601
N-[2-(4-cyclopentylpiperazin-1-yl)propyl]-2-methylpropan-1-amine
CID 62446554
4-(4-methoxypiperidin-1-yl)-N-(2-methylpropyl)butan-1-amine
CID 62422628
N-[2-[3-(methoxymethyl)piperidin-1-yl]propyl]-2-methylpropan-1-amine
CID 106589290
2-methyl-N-[2-[4-(2-methylpropyl)piperazin-1-yl]propyl]propan-1-amine
CID 62773305
N-[2-(3-methoxypiperidin-1-yl)propyl]-3-methylbutan-1-amine
CID 102968396
3-(3-methoxypiperidin-1-yl)-N-(2-methylpropyl)butan-1-amine
CID 102968159
1-(3-methoxypyrrolidin-1-yl)-3-(2-methylpropylamino)propan-2-ol
CID 103532073
N-[2-(4-ethoxypiperidin-1-yl)-3-methoxypropyl]-2-methylpropan-1-amine
CID 103225839
2-(4-ethoxypiperidin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 55087654
4-(4-methoxypiperidin-1-yl)pentan-2-one
CID 64699120

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxypiperidin-1-yl)propyl]-2-methylpropan-1-amine?
The IUPAC name of N-[2-(4-methoxypiperidin-1-yl)propyl]-2-methylpropan-1-amine (CID 62420010) is N-[2-(4-methoxypiperidin-1-yl)propyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[2-(4-methoxypiperidin-1-yl)propyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[2-(4-methoxypiperidin-1-yl)propyl]-2-methylpropan-1-amine is COC1CCN(C(C)CNCC(C)C)CC1.
What is the InChIKey of N-[2-(4-methoxypiperidin-1-yl)propyl]-2-methylpropan-1-amine?
The InChIKey is DYPMWUMXWAJFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-11(2)9-14-10-12(3)15-7-5-13(16-4)6-8-15/h11-14H,5-10H2,1-4H3.
What are the key properties of N-[2-(4-methoxypiperidin-1-yl)propyl]-2-methylpropan-1-amine?
N-[2-(4-methoxypiperidin-1-yl)propyl]-2-methylpropan-1-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 N-[2-(4-methoxypiperidin-1-yl)propyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62420010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).