1-[[(2S)-1,4-dioxan-2-yl]methyl]-4-(3-methoxypropyl)piperidine

C14H27NO3 — CID 164635827

IUPAC1-[[(2S)-1,4-dioxan-2-yl]methyl]-4-(3-methoxypropyl)piperidine
SMILESCOCCCC1CCN(C[C@H]2COCCO2)CC1
InChIInChI=1S/C14H27NO3/c1-16-8-2-3-13-4-6-15(7-5-13)11-14-12-17-9-10-18-14/h13-14H,2-12H2,1H3/t14-/m0/s1
InChIKeyXBOAFEXIWXGZPC-AWEZNQCLSA-N
MW257.37 g/mol
LogP1.54
Rot. Bonds6

About 1-[[(2S)-1,4-dioxan-2-yl]methyl]-4-(3-methoxypropyl)piperidine

1-[[(2S)-1,4-dioxan-2-yl]methyl]-4-(3-methoxypropyl)piperidine (PubChem CID 164635827) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is 1-[[(2S)-1,4-dioxan-2-yl]methyl]-4-(3-methoxypropyl)piperidine.

Molecular Properties

Compound Name1-[[(2S)-1,4-dioxan-2-yl]methyl]-4-(3-methoxypropyl)piperidine
PubChem CID164635827
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name1-[[(2S)-1,4-dioxan-2-yl]methyl]-4-(3-methoxypropyl)piperidine
SMILESCOCCCC1CCN(C[C@H]2COCCO2)CC1
InChIInChI=1S/C14H27NO3/c1-16-8-2-3-13-4-6-15(7-5-13)11-14-12-17-9-10-18-14/h13-14H,2-12H2,1H3/t14-/m0/s1
InChIKeyXBOAFEXIWXGZPC-AWEZNQCLSA-N
XLogP1.54
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[(2S)-1,4-dioxan-2-yl]methyl]-4-(3-methoxypropyl)piperidine?
The IUPAC name of 1-[[(2S)-1,4-dioxan-2-yl]methyl]-4-(3-methoxypropyl)piperidine (CID 164635827) is 1-[[(2S)-1,4-dioxan-2-yl]methyl]-4-(3-methoxypropyl)piperidine.
What is the SMILES notation for 1-[[(2S)-1,4-dioxan-2-yl]methyl]-4-(3-methoxypropyl)piperidine?
The canonical SMILES for 1-[[(2S)-1,4-dioxan-2-yl]methyl]-4-(3-methoxypropyl)piperidine is COCCCC1CCN(C[C@H]2COCCO2)CC1.
What is the InChIKey of 1-[[(2S)-1,4-dioxan-2-yl]methyl]-4-(3-methoxypropyl)piperidine?
The InChIKey is XBOAFEXIWXGZPC-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H27NO3/c1-16-8-2-3-13-4-6-15(7-5-13)11-14-12-17-9-10-18-14/h13-14H,2-12H2,1H3/t14-/m0/s1.
What are the key properties of 1-[[(2S)-1,4-dioxan-2-yl]methyl]-4-(3-methoxypropyl)piperidine?
1-[[(2S)-1,4-dioxan-2-yl]methyl]-4-(3-methoxypropyl)piperidine has a molecular weight of 257.37 g/mol, XLogP of 1.54, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2S)-1,4-dioxan-2-yl]methyl]-4-(3-methoxypropyl)piperidine is sourced from PubChem (CID 164635827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).