2-(3-methoxypiperidin-1-yl)-N-propylpropan-1-amine

C12H26N2O — CID 102968134

IUPAC2-(3-methoxypiperidin-1-yl)-N-propylpropan-1-amine
SMILESCCCNCC(C)N1CCCC(OC)C1
InChIInChI=1S/C12H26N2O/c1-4-7-13-9-11(2)14-8-5-6-12(10-14)15-3/h11-13H,4-10H2,1-3H3
InChIKeyVCXBPUWBTRPYEJ-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.49
Rot. Bonds6

About 2-(3-methoxypiperidin-1-yl)-N-propylpropan-1-amine

2-(3-methoxypiperidin-1-yl)-N-propylpropan-1-amine (PubChem CID 102968134) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-(3-methoxypiperidin-1-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name2-(3-methoxypiperidin-1-yl)-N-propylpropan-1-amine
PubChem CID102968134
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name2-(3-methoxypiperidin-1-yl)-N-propylpropan-1-amine
SMILESCCCNCC(C)N1CCCC(OC)C1
InChIInChI=1S/C12H26N2O/c1-4-7-13-9-11(2)14-8-5-6-12(10-14)15-3/h11-13H,4-10H2,1-3H3
InChIKeyVCXBPUWBTRPYEJ-UHFFFAOYSA-N
XLogP1.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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-[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
3-methoxy-2-(3-methoxypiperidin-1-yl)-N-propylpropan-1-amine
CID 103227415
2-(3-ethylpiperidin-1-yl)-N-propylpropan-1-amine
CID 62433605
N-[2-(3-methoxypiperidin-1-yl)propyl]cyclohexanamine
CID 102968384
3-(3-methoxypiperidin-1-yl)-N-propylbutan-2-amine
CID 102965543
2-methyl-N-[2-(3-propoxypiperidin-1-yl)propyl]propan-1-amine
CID 62412248
4-(3-methoxypiperidin-1-yl)-N-methylpentan-1-amine
CID 102968095
2-(3-ethoxypiperidin-1-yl)-N-(3-ethoxypropyl)propan-1-amine
CID 62568558
methyl 3-(3-methoxypiperidin-1-yl)butanoate
CID 102959580
1-butan-2-yl-3-methoxypyrrolidine
CID 146427472
methanol;3-methoxy-1-propan-2-ylpiperidine
CID 172576314

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypiperidin-1-yl)-N-propylpropan-1-amine?
The IUPAC name of 2-(3-methoxypiperidin-1-yl)-N-propylpropan-1-amine (CID 102968134) is 2-(3-methoxypiperidin-1-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 2-(3-methoxypiperidin-1-yl)-N-propylpropan-1-amine?
The canonical SMILES for 2-(3-methoxypiperidin-1-yl)-N-propylpropan-1-amine is CCCNCC(C)N1CCCC(OC)C1.
What is the InChIKey of 2-(3-methoxypiperidin-1-yl)-N-propylpropan-1-amine?
The InChIKey is VCXBPUWBTRPYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-4-7-13-9-11(2)14-8-5-6-12(10-14)15-3/h11-13H,4-10H2,1-3H3.
What are the key properties of 2-(3-methoxypiperidin-1-yl)-N-propylpropan-1-amine?
2-(3-methoxypiperidin-1-yl)-N-propylpropan-1-amine has a molecular weight of 214.35 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypiperidin-1-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 102968134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).