1-(2-hydroxy-3-methoxypropyl)piperidine-4-carbaldehyde

C10H19NO3 — CID 63928651

IUPAC1-(2-hydroxy-3-methoxypropyl)piperidine-4-carbaldehyde
SMILESCOCC(O)CN1CCC(C=O)CC1
InChIInChI=1S/C10H19NO3/c1-14-8-10(13)6-11-4-2-9(7-12)3-5-11/h7,9-10,13H,2-6,8H2,1H3
InChIKeyHMOMAXMISOFPOK-UHFFFAOYSA-N
MW201.27 g/mol
LogP-0.10
Rot. Bonds5

About 1-(2-hydroxy-3-methoxypropyl)piperidine-4-carbaldehyde

1-(2-hydroxy-3-methoxypropyl)piperidine-4-carbaldehyde (PubChem CID 63928651) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-(2-hydroxy-3-methoxypropyl)piperidine-4-carbaldehyde.

Molecular Properties

Compound Name1-(2-hydroxy-3-methoxypropyl)piperidine-4-carbaldehyde
PubChem CID63928651
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name1-(2-hydroxy-3-methoxypropyl)piperidine-4-carbaldehyde
SMILESCOCC(O)CN1CCC(C=O)CC1
InChIInChI=1S/C10H19NO3/c1-14-8-10(13)6-11-4-2-9(7-12)3-5-11/h7,9-10,13H,2-6,8H2,1H3
InChIKeyHMOMAXMISOFPOK-UHFFFAOYSA-N
XLogP-0.10
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-butoxy-2-hydroxypropyl)piperidine-4-carbaldehyde
CID 107264386
1-[4-(2-hydroxy-3-methoxypropyl)piperazin-1-yl]-3-methoxypropan-2-ol
CID 13310876
1-(2-hydroxy-3-methoxypropyl)piperidine-4-carbonitrile
CID 63979053
[1-(2-hydroxy-3-methoxypropyl)piperidin-4-yl]carbamic acid
CID 154258087
1-methoxy-3-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]propan-2-ol
CID 63929279
1-(2-hydroxy-3-methoxypropyl)pyrrolidin-3-ol
CID 63930667
1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-methoxypropan-2-ol
CID 112627641
2-[1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperidin-4-yl]acetic acid
CID 106991498
1-(4-aminopiperidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol
CID 106988179
1-methoxy-3-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-2-ol
CID 63929272
(3S)-1-(2-hydroxy-3-methoxypropyl)piperidin-3-ol
CID 107226168
1-(4,4-dimethylazepan-1-yl)-3-methoxypropan-2-ol
CID 65282402

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-3-methoxypropyl)piperidine-4-carbaldehyde?
The IUPAC name of 1-(2-hydroxy-3-methoxypropyl)piperidine-4-carbaldehyde (CID 63928651) is 1-(2-hydroxy-3-methoxypropyl)piperidine-4-carbaldehyde.
What is the SMILES notation for 1-(2-hydroxy-3-methoxypropyl)piperidine-4-carbaldehyde?
The canonical SMILES for 1-(2-hydroxy-3-methoxypropyl)piperidine-4-carbaldehyde is COCC(O)CN1CCC(C=O)CC1.
What is the InChIKey of 1-(2-hydroxy-3-methoxypropyl)piperidine-4-carbaldehyde?
The InChIKey is HMOMAXMISOFPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-14-8-10(13)6-11-4-2-9(7-12)3-5-11/h7,9-10,13H,2-6,8H2,1H3.
What are the key properties of 1-(2-hydroxy-3-methoxypropyl)piperidine-4-carbaldehyde?
1-(2-hydroxy-3-methoxypropyl)piperidine-4-carbaldehyde has a molecular weight of 201.27 g/mol, XLogP of -0.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-3-methoxypropyl)piperidine-4-carbaldehyde is sourced from PubChem (CID 63928651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).