2,3-dimethoxy-N-(3-piperidin-3-ylpropyl)propan-1-amine

C13H28N2O2 — CID 114100547

IUPAC2,3-dimethoxy-N-(3-piperidin-3-ylpropyl)propan-1-amine
SMILESCOCC(CNCCCC1CCCNC1)OC
InChIInChI=1S/C13H28N2O2/c1-16-11-13(17-2)10-15-8-4-6-12-5-3-7-14-9-12/h12-15H,3-11H2,1-2H3
InChIKeyAOOFAGKDFPDFTC-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.02
Rot. Bonds9

About 2,3-dimethoxy-N-(3-piperidin-3-ylpropyl)propan-1-amine

2,3-dimethoxy-N-(3-piperidin-3-ylpropyl)propan-1-amine (PubChem CID 114100547) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2,3-dimethoxy-N-(3-piperidin-3-ylpropyl)propan-1-amine.

Molecular Properties

Compound Name2,3-dimethoxy-N-(3-piperidin-3-ylpropyl)propan-1-amine
PubChem CID114100547
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name2,3-dimethoxy-N-(3-piperidin-3-ylpropyl)propan-1-amine
SMILESCOCC(CNCCCC1CCCNC1)OC
InChIInChI=1S/C13H28N2O2/c1-16-11-13(17-2)10-15-8-4-6-12-5-3-7-14-9-12/h12-15H,3-11H2,1-2H3
InChIKeyAOOFAGKDFPDFTC-UHFFFAOYSA-N
XLogP1.02
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2,2-difluoroethyl)-3-piperidin-3-ylpropan-1-amine
CID 115407510
3-[3-(2-methoxyethoxy)propyl]piperidine
CID 103413398
N-[(1-ethylcyclopentyl)methyl]-3-piperidin-3-ylpropan-1-amine
CID 114125818
2,2-dimethoxy-N-(piperidin-3-ylmethyl)ethanamine
CID 80555810
(3S)-3-(2-methoxyethyl)azepane
CID 97297954
3-[2-(methoxymethoxy)ethyl]piperidine
CID 106938134
N-(3-piperidin-3-ylpropyl)cyclobutanamine
CID 62416566
N-(2-methoxyethyl)-2-(2-piperidin-3-ylethoxy)propanamide
CID 62357348
3-methoxy-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119555798
N-ethyl-2-[(3S)-piperidin-3-yl]ethanamine
CID 94540790
3-(piperidin-3-ylmethylamino)propan-1-ol
CID 80553574
3-piperidin-3-yl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 63824137

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-N-(3-piperidin-3-ylpropyl)propan-1-amine?
The IUPAC name of 2,3-dimethoxy-N-(3-piperidin-3-ylpropyl)propan-1-amine (CID 114100547) is 2,3-dimethoxy-N-(3-piperidin-3-ylpropyl)propan-1-amine.
What is the SMILES notation for 2,3-dimethoxy-N-(3-piperidin-3-ylpropyl)propan-1-amine?
The canonical SMILES for 2,3-dimethoxy-N-(3-piperidin-3-ylpropyl)propan-1-amine is COCC(CNCCCC1CCCNC1)OC.
What is the InChIKey of 2,3-dimethoxy-N-(3-piperidin-3-ylpropyl)propan-1-amine?
The InChIKey is AOOFAGKDFPDFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-16-11-13(17-2)10-15-8-4-6-12-5-3-7-14-9-12/h12-15H,3-11H2,1-2H3.
What are the key properties of 2,3-dimethoxy-N-(3-piperidin-3-ylpropyl)propan-1-amine?
2,3-dimethoxy-N-(3-piperidin-3-ylpropyl)propan-1-amine has a molecular weight of 244.38 g/mol, XLogP of 1.02, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-N-(3-piperidin-3-ylpropyl)propan-1-amine is sourced from PubChem (CID 114100547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).