[(2S)-2-(dimethoxymethyl)piperidin-1-yl]-phenylmethanone

C15H21NO3 — CID 44540070

IUPAC[(2S)-2-(dimethoxymethyl)piperidin-1-yl]-phenylmethanone
SMILESCOC(OC)[C@@H]1CCCCN1C(=O)c1ccccc1
InChIInChI=1S/C15H21NO3/c1-18-15(19-2)13-10-6-7-11-16(13)14(17)12-8-4-3-5-9-12/h3-5,8-9,13,15H,6-7,10-11H2,1-2H3/t13-/m0/s1
InChIKeyBIHSEZFADYAPGO-ZDUSSCGKSA-N
MW263.34 g/mol
LogP2.30
Rot. Bonds4

About [(2S)-2-(dimethoxymethyl)piperidin-1-yl]-phenylmethanone

[(2S)-2-(dimethoxymethyl)piperidin-1-yl]-phenylmethanone (PubChem CID 44540070) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is [(2S)-2-(dimethoxymethyl)piperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[(2S)-2-(dimethoxymethyl)piperidin-1-yl]-phenylmethanone
PubChem CID44540070
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name[(2S)-2-(dimethoxymethyl)piperidin-1-yl]-phenylmethanone
SMILESCOC(OC)[C@@H]1CCCCN1C(=O)c1ccccc1
InChIInChI=1S/C15H21NO3/c1-18-15(19-2)13-10-6-7-11-16(13)14(17)12-8-4-3-5-9-12/h3-5,8-9,13,15H,6-7,10-11H2,1-2H3/t13-/m0/s1
InChIKeyBIHSEZFADYAPGO-ZDUSSCGKSA-N
XLogP2.30
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[2-(1-phenoxyethyl)piperidin-1-yl]-phenylmethanone
CID 90696413
1-[(2S)-2-(dimethoxymethyl)piperidin-1-yl]ethanone
CID 102032429
[4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]-phenylmethanone
CID 2532732
(2-hydroxypiperidin-1-yl)-phenylmethanone
CID 14920288
(2-ethoxypiperidin-1-yl)-phenylmethanone
CID 134988342
N-[4-[2-(1-aminoethyl)piperidine-1-carbonyl]phenyl]benzamide
CID 119436674
[2-(1-aminoethyl)piperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone;hydrochloride
CID 119435796
phenyl-(2-propylpiperidin-1-yl)methanone
CID 16637839
2-methylpropyl 1-benzoylpiperidine-2-carboxylate
CID 100995685
[4-[2-(2-oxo-1-phenylpropyl)piperidine-1-carbonyl]phenyl] dihydrogen phosphate
CID 90364535
[2-(1-aminoethyl)piperidin-1-yl]-[4-(methoxymethyl)phenyl]methanone;hydrochloride
CID 119436994
[(2S)-2-benzylpiperidin-1-yl]-phenylmethanone
CID 155929798

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(dimethoxymethyl)piperidin-1-yl]-phenylmethanone?
The IUPAC name of [(2S)-2-(dimethoxymethyl)piperidin-1-yl]-phenylmethanone (CID 44540070) is [(2S)-2-(dimethoxymethyl)piperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [(2S)-2-(dimethoxymethyl)piperidin-1-yl]-phenylmethanone?
The canonical SMILES for [(2S)-2-(dimethoxymethyl)piperidin-1-yl]-phenylmethanone is COC(OC)[C@@H]1CCCCN1C(=O)c1ccccc1.
What is the InChIKey of [(2S)-2-(dimethoxymethyl)piperidin-1-yl]-phenylmethanone?
The InChIKey is BIHSEZFADYAPGO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H21NO3/c1-18-15(19-2)13-10-6-7-11-16(13)14(17)12-8-4-3-5-9-12/h3-5,8-9,13,15H,6-7,10-11H2,1-2H3/t13-/m0/s1.
What are the key properties of [(2S)-2-(dimethoxymethyl)piperidin-1-yl]-phenylmethanone?
[(2S)-2-(dimethoxymethyl)piperidin-1-yl]-phenylmethanone has a molecular weight of 263.34 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(dimethoxymethyl)piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 44540070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).