1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-piperidin-4-yloxyethanone

C13H22N2O2 — CID 106313817

IUPAC1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-piperidin-4-yloxyethanone
SMILESCC1=CCCN(C(=O)COC2CCNCC2)C1
InChIInChI=1S/C13H22N2O2/c1-11-3-2-8-15(9-11)13(16)10-17-12-4-6-14-7-5-12/h3,12,14H,2,4-10H2,1H3
InChIKeyHDYDBDLAFPHOQA-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.93
Rot. Bonds3

About 1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-piperidin-4-yloxyethanone

1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-piperidin-4-yloxyethanone (PubChem CID 106313817) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-piperidin-4-yloxyethanone.

Molecular Properties

Compound Name1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-piperidin-4-yloxyethanone
PubChem CID106313817
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-piperidin-4-yloxyethanone
SMILESCC1=CCCN(C(=O)COC2CCNCC2)C1
InChIInChI=1S/C13H22N2O2/c1-11-3-2-8-15(9-11)13(16)10-17-12-4-6-14-7-5-12/h3,12,14H,2,4-10H2,1H3
InChIKeyHDYDBDLAFPHOQA-UHFFFAOYSA-N
XLogP0.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-piperidin-4-yloxy-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 114489787
N-[1-({1-[(2E)-but-2-en-1-yl]-1,2,5,6-tetrahydropyridin-3-yl}methyl)piperidin-4-yl]-2-methoxyacetamide
CID 56712773
4-[(2E,5Z)-2-ethyl-6-(methylamino)hepta-2,5-dienyl]morpholin-3-one
CID 134406135
ethene;9-[(Z)-3-ethenylpent-3-enyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 144971257
(E)-N-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]pent-2-enamide
CID 156518243
molecular hydrogen;N-[[2-(morpholin-4-ylmethyl)cyclohexa-1,5-dien-1-yl]methyl]propanamide
CID 176934204
6-(Aminomethyl)-4-[2-(cyclohexen-1-yl)ethyl]morpholin-3-one
CID 24262163
6-(Aminomethyl)-4-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethylmorpholin-3-one
CID 24262276
N-[2-(cyclohexen-1-yl)ethyl]-2-propan-2-yloxyacetamide
CID 48130901
N-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2-morpholin-4-ylethyl]acetamide
CID 50982549
N-(cyclohex-3-en-1-ylmethyl)-2-piperidin-4-yloxyacetamide
CID 55250906
N-[2-(cyclohexen-1-yl)ethyl]morpholine-2-carboxamide
CID 61737073

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-piperidin-4-yloxyethanone?
The IUPAC name of 1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-piperidin-4-yloxyethanone (CID 106313817) is 1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-piperidin-4-yloxyethanone.
What is the SMILES notation for 1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-piperidin-4-yloxyethanone?
The canonical SMILES for 1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-piperidin-4-yloxyethanone is CC1=CCCN(C(=O)COC2CCNCC2)C1.
What is the InChIKey of 1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-piperidin-4-yloxyethanone?
The InChIKey is HDYDBDLAFPHOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-11-3-2-8-15(9-11)13(16)10-17-12-4-6-14-7-5-12/h3,12,14H,2,4-10H2,1H3.
What are the key properties of 1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-piperidin-4-yloxyethanone?
1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-piperidin-4-yloxyethanone has a molecular weight of 238.33 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-piperidin-4-yloxyethanone is sourced from PubChem (CID 106313817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).