4-[(2R)-2-hydroxy-3-piperidin-1-ylpropyl]piperazine-1-carbaldehyde

C13H25N3O2 — CID 3246248

IUPAC4-[(2R)-2-hydroxy-3-piperidin-1-ylpropyl]piperazine-1-carbaldehyde
SMILESO=CN1CCN(C[C@H](O)CN2CCCCC2)CC1
InChIInChI=1S/C13H25N3O2/c17-12-16-8-6-15(7-9-16)11-13(18)10-14-4-2-1-3-5-14/h12-13,18H,1-11H2/t13-/m1/s1
InChIKeyGAUYDPLFKRENDX-CYBMUJFWSA-N
MW255.36 g/mol
LogP-0.39
Rot. Bonds5

About 4-[(2R)-2-hydroxy-3-piperidin-1-ylpropyl]piperazine-1-carbaldehyde

4-[(2R)-2-hydroxy-3-piperidin-1-ylpropyl]piperazine-1-carbaldehyde (PubChem CID 3246248) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 4-[(2R)-2-hydroxy-3-piperidin-1-ylpropyl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[(2R)-2-hydroxy-3-piperidin-1-ylpropyl]piperazine-1-carbaldehyde
PubChem CID3246248
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name4-[(2R)-2-hydroxy-3-piperidin-1-ylpropyl]piperazine-1-carbaldehyde
SMILESO=CN1CCN(C[C@H](O)CN2CCCCC2)CC1
InChIInChI=1S/C13H25N3O2/c17-12-16-8-6-15(7-9-16)11-13(18)10-14-4-2-1-3-5-14/h12-13,18H,1-11H2/t13-/m1/s1
InChIKeyGAUYDPLFKRENDX-CYBMUJFWSA-N
XLogP-0.39
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 5-0.39
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-dipyrrolidin-1-ylpropan-2-ol
CID 57126359
(2S)-3-piperidin-1-ylpropane-1,2-diol
CID 854495
(2S)-1-chloro-3-piperidin-1-ylpropan-2-ol
CID 102309781
(2S)-1-amino-3-(azonan-1-yl)propan-2-ol
CID 131048167
1-(azonan-1-yl)butan-2-ol
CID 130671766
1-amino-3-(azonan-1-yl)propan-2-ol
CID 127001298
4-(2-aminopropyl)piperazine-1-carbaldehyde
CID 21054639
4-(azepan-1-yl)-3-hydroxybutanoic acid
CID 82774888
1-(azepan-1-yl)-3-(1,2,4-triazol-4-yl)propan-2-ol
CID 50951979
2-hydroxy-3-pyrrolidin-1-ylpropane-1-sulfonic acid
CID 12046466
1-[4-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]piperazin-1-yl]-3-piperidin-1-ylpropan-1-one
CID 3066008
1-(2-hydroxy-3-sulfosulfanylpropyl)piperidine
CID 12046470

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-hydroxy-3-piperidin-1-ylpropyl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[(2R)-2-hydroxy-3-piperidin-1-ylpropyl]piperazine-1-carbaldehyde (CID 3246248) is 4-[(2R)-2-hydroxy-3-piperidin-1-ylpropyl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[(2R)-2-hydroxy-3-piperidin-1-ylpropyl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[(2R)-2-hydroxy-3-piperidin-1-ylpropyl]piperazine-1-carbaldehyde is O=CN1CCN(C[C@H](O)CN2CCCCC2)CC1.
What is the InChIKey of 4-[(2R)-2-hydroxy-3-piperidin-1-ylpropyl]piperazine-1-carbaldehyde?
The InChIKey is GAUYDPLFKRENDX-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H25N3O2/c17-12-16-8-6-15(7-9-16)11-13(18)10-14-4-2-1-3-5-14/h12-13,18H,1-11H2/t13-/m1/s1.
What are the key properties of 4-[(2R)-2-hydroxy-3-piperidin-1-ylpropyl]piperazine-1-carbaldehyde?
4-[(2R)-2-hydroxy-3-piperidin-1-ylpropyl]piperazine-1-carbaldehyde has a molecular weight of 255.36 g/mol, XLogP of -0.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-hydroxy-3-piperidin-1-ylpropyl]piperazine-1-carbaldehyde is sourced from PubChem (CID 3246248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).