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

C12H25NO3 — CID 63629790

IUPAC1-(3,3-diethoxypropyl)piperidin-3-ol
SMILESCCOC(CCN1CCCC(O)C1)OCC
InChIInChI=1S/C12H25NO3/c1-3-15-12(16-4-2)7-9-13-8-5-6-11(14)10-13/h11-12,14H,3-10H2,1-2H3
InChIKeyVJTMJDGIKPOCSL-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.23
Rot. Bonds7

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

1-(3,3-diethoxypropyl)piperidin-3-ol (PubChem CID 63629790) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-(3,3-diethoxypropyl)piperidin-3-ol.

Molecular Properties

Compound Name1-(3,3-diethoxypropyl)piperidin-3-ol
PubChem CID63629790
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Name1-(3,3-diethoxypropyl)piperidin-3-ol
SMILESCCOC(CCN1CCCC(O)C1)OCC
InChIInChI=1S/C12H25NO3/c1-3-15-12(16-4-2)7-9-13-8-5-6-11(14)10-13/h11-12,14H,3-10H2,1-2H3
InChIKeyVJTMJDGIKPOCSL-UHFFFAOYSA-N
XLogP1.23
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.23
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-amine
CID 63628953
1-(3,3-diethoxypropyl)pyrrolidine-3,4-diol
CID 106670331
2-(3,3-diethoxypropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79943736
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
(3S)-1-[3-[3-[(3S)-3-hydroxypiperidin-1-yl]propoxy]propyl]piperidin-3-ol
CID 142756274
2-[2-[(3S)-3-hydroxypiperidin-1-yl]ethyl]hexanoic acid;dihydrochloride
CID 142749440
3-(3,3-diethoxypropyl)-8-oxa-3-azabicyclo[3.2.1]octane
CID 66391359
(3R)-1-[3-(pentan-3-ylamino)propyl]piperidin-3-ol
CID 95120625
1-(3-hydroxy-3-phenylpropyl)piperidin-3-ol
CID 55094317
1-(5-methoxypentyl)piperidin-3-ol
CID 110932736

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-diethoxypropyl)piperidin-3-ol?
The IUPAC name of 1-(3,3-diethoxypropyl)piperidin-3-ol (CID 63629790) is 1-(3,3-diethoxypropyl)piperidin-3-ol.
What is the SMILES notation for 1-(3,3-diethoxypropyl)piperidin-3-ol?
The canonical SMILES for 1-(3,3-diethoxypropyl)piperidin-3-ol is CCOC(CCN1CCCC(O)C1)OCC.
What is the InChIKey of 1-(3,3-diethoxypropyl)piperidin-3-ol?
The InChIKey is VJTMJDGIKPOCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-3-15-12(16-4-2)7-9-13-8-5-6-11(14)10-13/h11-12,14H,3-10H2,1-2H3.
What are the key properties of 1-(3,3-diethoxypropyl)piperidin-3-ol?
1-(3,3-diethoxypropyl)piperidin-3-ol has a molecular weight of 231.34 g/mol, XLogP of 1.23, 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-ol is sourced from PubChem (CID 63629790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).