1-(3,3-diethoxypropyl)piperidin-3-amine

C12H26N2O2 — CID 63628953

IUPAC1-(3,3-diethoxypropyl)piperidin-3-amine
SMILESCCOC(CCN1CCCC(N)C1)OCC
InChIInChI=1S/C12H26N2O2/c1-3-15-12(16-4-2)7-9-14-8-5-6-11(13)10-14/h11-12H,3-10,13H2,1-2H3
InChIKeyZNEFJWADXJDJQR-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.20
Rot. Bonds7

About 1-(3,3-diethoxypropyl)piperidin-3-amine

1-(3,3-diethoxypropyl)piperidin-3-amine (PubChem CID 63628953) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 1-(3,3-diethoxypropyl)piperidin-3-amine.

Molecular Properties

Compound Name1-(3,3-diethoxypropyl)piperidin-3-amine
PubChem CID63628953
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name1-(3,3-diethoxypropyl)piperidin-3-amine
SMILESCCOC(CCN1CCCC(N)C1)OCC
InChIInChI=1S/C12H26N2O2/c1-3-15-12(16-4-2)7-9-14-8-5-6-11(13)10-14/h11-12H,3-10,13H2,1-2H3
InChIKeyZNEFJWADXJDJQR-UHFFFAOYSA-N
XLogP1.20
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(3,3-diethoxypropyl)piperidin-3-ol
CID 63629790
(3S)-1-(3-propan-2-yloxypropyl)piperidin-3-amine
CID 39221513
2-(3,3-diethoxypropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79943736
1-(3,3-diethoxypropyl)-5-methylpiperidin-3-amine
CID 81090730
1-cyclopentyl-4-(3,3-diethoxypropyl)piperazine
CID 63629128
1-(3,3-diethoxypropyl)-N,N-diethylpyrrolidin-3-amine
CID 63628433
2-(3,3-diethoxypropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79934926
2-[1-(3,3-diethoxypropyl)piperidin-4-yl]acetamide
CID 63628259
2-(3-aminopiperidin-1-yl)ethanol
CID 61296854
1-(2-bromoethyl)piperidin-3-amine
CID 130905726
1-(3,3-diethoxypropyl)pyrrolidine-3,4-diol
CID 106670331
3-(3,3-diethoxypropyl)-8-oxa-3-azabicyclo[3.2.1]octane
CID 66391359

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-diethoxypropyl)piperidin-3-amine?
The IUPAC name of 1-(3,3-diethoxypropyl)piperidin-3-amine (CID 63628953) is 1-(3,3-diethoxypropyl)piperidin-3-amine.
What is the SMILES notation for 1-(3,3-diethoxypropyl)piperidin-3-amine?
The canonical SMILES for 1-(3,3-diethoxypropyl)piperidin-3-amine is CCOC(CCN1CCCC(N)C1)OCC.
What is the InChIKey of 1-(3,3-diethoxypropyl)piperidin-3-amine?
The InChIKey is ZNEFJWADXJDJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-3-15-12(16-4-2)7-9-14-8-5-6-11(13)10-14/h11-12H,3-10,13H2,1-2H3.
What are the key properties of 1-(3,3-diethoxypropyl)piperidin-3-amine?
1-(3,3-diethoxypropyl)piperidin-3-amine has a molecular weight of 230.35 g/mol, XLogP of 1.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-diethoxypropyl)piperidin-3-amine is sourced from PubChem (CID 63628953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).