(2S)-2-[(2S)-2-(methoxymethoxy)-2-phenylethyl]-1-methylpiperidine

C16H25NO2 — CID 11708725

IUPAC(2S)-2-[(2S)-2-(methoxymethoxy)-2-phenylethyl]-1-methylpiperidine
SMILESCOCO[C@@H](C[C@@H]1CCCCN1C)c1ccccc1
InChIInChI=1S/C16H25NO2/c1-17-11-7-6-10-15(17)12-16(19-13-18-2)14-8-4-3-5-9-14/h3-5,8-9,15-16H,6-7,10-13H2,1-2H3/t15-,16-/m0/s1
InChIKeyDHEHBZMRLKVIGM-HOTGVXAUSA-N
MW263.38 g/mol
LogP3.22
Rot. Bonds6

About (2S)-2-[(2S)-2-(methoxymethoxy)-2-phenylethyl]-1-methylpiperidine

(2S)-2-[(2S)-2-(methoxymethoxy)-2-phenylethyl]-1-methylpiperidine (PubChem CID 11708725) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is (2S)-2-[(2S)-2-(methoxymethoxy)-2-phenylethyl]-1-methylpiperidine.

Molecular Properties

Compound Name(2S)-2-[(2S)-2-(methoxymethoxy)-2-phenylethyl]-1-methylpiperidine
PubChem CID11708725
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name(2S)-2-[(2S)-2-(methoxymethoxy)-2-phenylethyl]-1-methylpiperidine
SMILESCOCO[C@@H](C[C@@H]1CCCCN1C)c1ccccc1
InChIInChI=1S/C16H25NO2/c1-17-11-7-6-10-15(17)12-16(19-13-18-2)14-8-4-3-5-9-14/h3-5,8-9,15-16H,6-7,10-13H2,1-2H3/t15-,16-/m0/s1
InChIKeyDHEHBZMRLKVIGM-HOTGVXAUSA-N
XLogP3.22
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.22
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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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2S)-2-(methoxymethoxy)-2-phenylethyl]-1-methylpiperidine?
The IUPAC name of (2S)-2-[(2S)-2-(methoxymethoxy)-2-phenylethyl]-1-methylpiperidine (CID 11708725) is (2S)-2-[(2S)-2-(methoxymethoxy)-2-phenylethyl]-1-methylpiperidine.
What is the SMILES notation for (2S)-2-[(2S)-2-(methoxymethoxy)-2-phenylethyl]-1-methylpiperidine?
The canonical SMILES for (2S)-2-[(2S)-2-(methoxymethoxy)-2-phenylethyl]-1-methylpiperidine is COCO[C@@H](C[C@@H]1CCCCN1C)c1ccccc1.
What is the InChIKey of (2S)-2-[(2S)-2-(methoxymethoxy)-2-phenylethyl]-1-methylpiperidine?
The InChIKey is DHEHBZMRLKVIGM-HOTGVXAUSA-N. The full InChI is InChI=1S/C16H25NO2/c1-17-11-7-6-10-15(17)12-16(19-13-18-2)14-8-4-3-5-9-14/h3-5,8-9,15-16H,6-7,10-13H2,1-2H3/t15-,16-/m0/s1.
What are the key properties of (2S)-2-[(2S)-2-(methoxymethoxy)-2-phenylethyl]-1-methylpiperidine?
(2S)-2-[(2S)-2-(methoxymethoxy)-2-phenylethyl]-1-methylpiperidine has a molecular weight of 263.38 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2S)-2-(methoxymethoxy)-2-phenylethyl]-1-methylpiperidine is sourced from PubChem (CID 11708725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).