1-propan-2-yl-4-[5-(6-propan-2-yloxan-3-yl)hexan-2-yl]piperidine

C22H43NO — CID 155484059

IUPAC1-propan-2-yl-4-[5-(6-propan-2-yloxan-3-yl)hexan-2-yl]piperidine
SMILESCC(C)C1CCC(C(C)CCC(C)C2CCN(C(C)C)CC2)CO1
InChIInChI=1S/C22H43NO/c1-16(2)22-10-9-21(15-24-22)19(6)8-7-18(5)20-11-13-23(14-12-20)17(3)4/h16-22H,7-15H2,1-6H3
InChIKeyIQQJDKVWIYGBMP-UHFFFAOYSA-N
MW337.59 g/mol
LogP5.61
Rot. Bonds7

About 1-propan-2-yl-4-[5-(6-propan-2-yloxan-3-yl)hexan-2-yl]piperidine

1-propan-2-yl-4-[5-(6-propan-2-yloxan-3-yl)hexan-2-yl]piperidine (PubChem CID 155484059) has the molecular formula C22H43NO and a molecular weight of 337.59 g/mol. Its IUPAC name is 1-propan-2-yl-4-[5-(6-propan-2-yloxan-3-yl)hexan-2-yl]piperidine.

Molecular Properties

Compound Name1-propan-2-yl-4-[5-(6-propan-2-yloxan-3-yl)hexan-2-yl]piperidine
PubChem CID155484059
Molecular FormulaC22H43NO
Molecular Weight337.59 g/mol
Exact Mass337.33
IUPAC Name1-propan-2-yl-4-[5-(6-propan-2-yloxan-3-yl)hexan-2-yl]piperidine
SMILESCC(C)C1CCC(C(C)CCC(C)C2CCN(C(C)C)CC2)CO1
InChIInChI=1S/C22H43NO/c1-16(2)22-10-9-21(15-24-22)19(6)8-7-18(5)20-11-13-23(14-12-20)17(3)4/h16-22H,7-15H2,1-6H3
InChIKeyIQQJDKVWIYGBMP-UHFFFAOYSA-N
XLogP5.61
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.59
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-di(propan-2-yl)piperidine
CID 21303253
butane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;ethane
CID 168928365
4-ethyl-4-methyl-1-[5-(1-propan-2-ylpiperidin-4-yl)hexan-2-yl]piperidine
CID 170401379
5-ethyl-2-propan-2-yloxane
CID 129254270
2,5-di(propan-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1,4-di(propan-2-yl)piperazine;bis(1,4-di(propan-2-yl)piperidine);methane
CID 159687749
4-(1-iodoethyl)-1-propan-2-ylpiperidine
CID 126675083
1-(1-propan-2-ylpiperidin-4-yl)ethane-1,2-diol
CID 117238997
1-[(2S,5S)-5-propan-2-yloxan-2-yl]ethanol
CID 169304087
2-(1-propan-2-ylpiperidin-4-yl)propane-1,3-diol
CID 117239485
2-methylsulfanyl-1-(1-propan-2-ylpiperidin-4-yl)ethanol
CID 117238981
1-[3-[1-[3-(azetidin-3-yl)butyl]piperidin-4-yl]butyl]-4-propan-2-ylpiperazine
CID 139425550
(1-propan-2-ylpiperidin-4-yl)arsane
CID 173205346

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4-[5-(6-propan-2-yloxan-3-yl)hexan-2-yl]piperidine?
The IUPAC name of 1-propan-2-yl-4-[5-(6-propan-2-yloxan-3-yl)hexan-2-yl]piperidine (CID 155484059) is 1-propan-2-yl-4-[5-(6-propan-2-yloxan-3-yl)hexan-2-yl]piperidine.
What is the SMILES notation for 1-propan-2-yl-4-[5-(6-propan-2-yloxan-3-yl)hexan-2-yl]piperidine?
The canonical SMILES for 1-propan-2-yl-4-[5-(6-propan-2-yloxan-3-yl)hexan-2-yl]piperidine is CC(C)C1CCC(C(C)CCC(C)C2CCN(C(C)C)CC2)CO1.
What is the InChIKey of 1-propan-2-yl-4-[5-(6-propan-2-yloxan-3-yl)hexan-2-yl]piperidine?
The InChIKey is IQQJDKVWIYGBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43NO/c1-16(2)22-10-9-21(15-24-22)19(6)8-7-18(5)20-11-13-23(14-12-20)17(3)4/h16-22H,7-15H2,1-6H3.
What are the key properties of 1-propan-2-yl-4-[5-(6-propan-2-yloxan-3-yl)hexan-2-yl]piperidine?
1-propan-2-yl-4-[5-(6-propan-2-yloxan-3-yl)hexan-2-yl]piperidine has a molecular weight of 337.59 g/mol, XLogP of 5.61, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4-[5-(6-propan-2-yloxan-3-yl)hexan-2-yl]piperidine is sourced from PubChem (CID 155484059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).