(2R)-2-(1-acetyl-3,4-dihydro-2H-pyridin-5-yl)piperidine-1-carbaldehyde

C13H20N2O2 — CID 102247177

IUPAC(2R)-2-(1-acetyl-3,4-dihydro-2H-pyridin-5-yl)piperidine-1-carbaldehyde
SMILESCC(=O)N1C=C([C@H]2CCCCN2C=O)CCC1
InChIInChI=1S/C13H20N2O2/c1-11(17)14-8-4-5-12(9-14)13-6-2-3-7-15(13)10-16/h9-10,13H,2-8H2,1H3/t13-/m1/s1
InChIKeyIDRBUUNZHYXUPN-CYBMUJFWSA-N
MW236.31 g/mol
LogP1.52
Rot. Bonds2

About (2R)-2-(1-acetyl-3,4-dihydro-2H-pyridin-5-yl)piperidine-1-carbaldehyde

(2R)-2-(1-acetyl-3,4-dihydro-2H-pyridin-5-yl)piperidine-1-carbaldehyde (PubChem CID 102247177) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is (2R)-2-(1-acetyl-3,4-dihydro-2H-pyridin-5-yl)piperidine-1-carbaldehyde.

Molecular Properties

Compound Name(2R)-2-(1-acetyl-3,4-dihydro-2H-pyridin-5-yl)piperidine-1-carbaldehyde
PubChem CID102247177
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name(2R)-2-(1-acetyl-3,4-dihydro-2H-pyridin-5-yl)piperidine-1-carbaldehyde
SMILESCC(=O)N1C=C([C@H]2CCCCN2C=O)CCC1
InChIInChI=1S/C13H20N2O2/c1-11(17)14-8-4-5-12(9-14)13-6-2-3-7-15(13)10-16/h9-10,13H,2-8H2,1H3/t13-/m1/s1
InChIKeyIDRBUUNZHYXUPN-CYBMUJFWSA-N
XLogP1.52
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3,4-Dihydro-5-(2R)-2-piperidinyl-1(2H)-pyridinyl)ethanone
CID 442625
N'-Methylammodendrine
CID 171125
Pyridine, 1-acetyl-1,2,3,4-tetrahydro-5-(2-piperidinyl)-
CID 108191
1-[5-[(2S)-piperidin-2-yl]-3,4-dihydro-2H-pyridin-1-yl]ethanone
CID 7529487
(S)-1-(5-(1-Methylpiperidin-2-yl)-3,4-dihydropyridin-1(2H)-yl)ethan-1-one
CID 44583965
N-methylammodendrine
CID 11218329
Ammodendrine(1+)
CID 78446220
Pyridine, 1,2,3,4-tetrahydro-1-(trifluoroacetyl)-5-[1-(trifluoroacetyl)-2-piperidinyl]-
CID 630978
1-Acetyl-1,2,3,4-tetrahydro-5-[1-(trifluoroacetyl)-2-piperidinyl]pyridine
CID 101287749
Pyridine, 1-acetyl-5-(1-formyl-2-piperidinyl)-1,2,3,4-tetrahydro-
CID 612613
1-Acetyl-5-(1-acetyl-2-piperidinyl)-1,2,3,4-tetrahydropyridine
CID 615947
Pyridine, 1,2,3,4-tetrahydro-1-(1-oxopropyl)-5-(2-piperidinyl)-
CID 596684

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1-acetyl-3,4-dihydro-2H-pyridin-5-yl)piperidine-1-carbaldehyde?
The IUPAC name of (2R)-2-(1-acetyl-3,4-dihydro-2H-pyridin-5-yl)piperidine-1-carbaldehyde (CID 102247177) is (2R)-2-(1-acetyl-3,4-dihydro-2H-pyridin-5-yl)piperidine-1-carbaldehyde.
What is the SMILES notation for (2R)-2-(1-acetyl-3,4-dihydro-2H-pyridin-5-yl)piperidine-1-carbaldehyde?
The canonical SMILES for (2R)-2-(1-acetyl-3,4-dihydro-2H-pyridin-5-yl)piperidine-1-carbaldehyde is CC(=O)N1C=C([C@H]2CCCCN2C=O)CCC1.
What is the InChIKey of (2R)-2-(1-acetyl-3,4-dihydro-2H-pyridin-5-yl)piperidine-1-carbaldehyde?
The InChIKey is IDRBUUNZHYXUPN-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-11(17)14-8-4-5-12(9-14)13-6-2-3-7-15(13)10-16/h9-10,13H,2-8H2,1H3/t13-/m1/s1.
What are the key properties of (2R)-2-(1-acetyl-3,4-dihydro-2H-pyridin-5-yl)piperidine-1-carbaldehyde?
(2R)-2-(1-acetyl-3,4-dihydro-2H-pyridin-5-yl)piperidine-1-carbaldehyde has a molecular weight of 236.31 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1-acetyl-3,4-dihydro-2H-pyridin-5-yl)piperidine-1-carbaldehyde is sourced from PubChem (CID 102247177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).