1-[[2-[[(2S)-1,4-dioxan-2-yl]methyl]cyclopropyl]methyl]-4-propan-2-ylpiperidine

C17H31NO2 — CID 170398369

IUPAC1-[[2-[[(2S)-1,4-dioxan-2-yl]methyl]cyclopropyl]methyl]-4-propan-2-ylpiperidine
SMILESCC(C)C1CCN(CC2CC2C[C@H]2COCCO2)CC1
InChIInChI=1S/C17H31NO2/c1-13(2)14-3-5-18(6-4-14)11-16-9-15(16)10-17-12-19-7-8-20-17/h13-17H,3-12H2,1-2H3/t15?,16?,17-/m0/s1
InChIKeyHGZXUUQKXJNHGL-JCYILVPMSA-N
MW281.44 g/mol
LogP2.80
Rot. Bonds5

About 1-[[2-[[(2S)-1,4-dioxan-2-yl]methyl]cyclopropyl]methyl]-4-propan-2-ylpiperidine

1-[[2-[[(2S)-1,4-dioxan-2-yl]methyl]cyclopropyl]methyl]-4-propan-2-ylpiperidine (PubChem CID 170398369) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is 1-[[2-[[(2S)-1,4-dioxan-2-yl]methyl]cyclopropyl]methyl]-4-propan-2-ylpiperidine.

Molecular Properties

Compound Name1-[[2-[[(2S)-1,4-dioxan-2-yl]methyl]cyclopropyl]methyl]-4-propan-2-ylpiperidine
PubChem CID170398369
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Name1-[[2-[[(2S)-1,4-dioxan-2-yl]methyl]cyclopropyl]methyl]-4-propan-2-ylpiperidine
SMILESCC(C)C1CCN(CC2CC2C[C@H]2COCCO2)CC1
InChIInChI=1S/C17H31NO2/c1-13(2)14-3-5-18(6-4-14)11-16-9-15(16)10-17-12-19-7-8-20-17/h13-17H,3-12H2,1-2H3/t15?,16?,17-/m0/s1
InChIKeyHGZXUUQKXJNHGL-JCYILVPMSA-N
XLogP2.80
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[[2-[[(2S)-1,4-dioxan-2-yl]methyl]cyclopropyl]methyl]-4-propan-2-ylpiperidine with MolForge

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Related Compounds

3-[(3-propan-2-ylpyrrolidin-1-yl)methyl]oxan-4-amine
CID 103060817
3-(1,4-dioxan-2-ylmethyl)-7-oxabicyclo[4.1.0]heptane
CID 174887752
1-(1,4-dioxan-2-yl)propan-2-amine
CID 54484153
1-[(2S)-1,4-dioxan-2-yl]propan-2-amine
CID 89159983
N-(1,4-dioxan-2-ylmethyl)-1-ethylpiperidin-4-amine
CID 61025093
(2S)-2-(propan-2-yloxymethyl)-1,4-dioxane
CID 167458864
ethane;2-ethyl-1,4-dioxane
CID 170734415
1-(iodomethyl)-4-propan-2-ylpiperidine
CID 149079788
1-(1,4-dioxan-2-ylmethyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64964078
1-(cyclopentylmethyl)-4-propan-2-ylpiperidine
CID 142532061
3-(4-propan-2-ylpiperidin-1-yl)oxan-4-amine
CID 103495081
1-cyclopropyl-N-(1,4-dioxan-2-ylmethyl)ethanamine
CID 61023563

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[[(2S)-1,4-dioxan-2-yl]methyl]cyclopropyl]methyl]-4-propan-2-ylpiperidine?
The IUPAC name of 1-[[2-[[(2S)-1,4-dioxan-2-yl]methyl]cyclopropyl]methyl]-4-propan-2-ylpiperidine (CID 170398369) is 1-[[2-[[(2S)-1,4-dioxan-2-yl]methyl]cyclopropyl]methyl]-4-propan-2-ylpiperidine.
What is the SMILES notation for 1-[[2-[[(2S)-1,4-dioxan-2-yl]methyl]cyclopropyl]methyl]-4-propan-2-ylpiperidine?
The canonical SMILES for 1-[[2-[[(2S)-1,4-dioxan-2-yl]methyl]cyclopropyl]methyl]-4-propan-2-ylpiperidine is CC(C)C1CCN(CC2CC2C[C@H]2COCCO2)CC1.
What is the InChIKey of 1-[[2-[[(2S)-1,4-dioxan-2-yl]methyl]cyclopropyl]methyl]-4-propan-2-ylpiperidine?
The InChIKey is HGZXUUQKXJNHGL-JCYILVPMSA-N. The full InChI is InChI=1S/C17H31NO2/c1-13(2)14-3-5-18(6-4-14)11-16-9-15(16)10-17-12-19-7-8-20-17/h13-17H,3-12H2,1-2H3/t15?,16?,17-/m0/s1.
What are the key properties of 1-[[2-[[(2S)-1,4-dioxan-2-yl]methyl]cyclopropyl]methyl]-4-propan-2-ylpiperidine?
1-[[2-[[(2S)-1,4-dioxan-2-yl]methyl]cyclopropyl]methyl]-4-propan-2-ylpiperidine has a molecular weight of 281.44 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[[(2S)-1,4-dioxan-2-yl]methyl]cyclopropyl]methyl]-4-propan-2-ylpiperidine is sourced from PubChem (CID 170398369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).