1-[4-(2-methylpropyl)piperidin-1-yl]-5-propan-2-yloxypentan-1-one

C17H33NO2 — CID 165108720

IUPAC1-[4-(2-methylpropyl)piperidin-1-yl]-5-propan-2-yloxypentan-1-one
SMILESCC(C)CC1CCN(C(=O)CCCCOC(C)C)CC1
InChIInChI=1S/C17H33NO2/c1-14(2)13-16-8-10-18(11-9-16)17(19)7-5-6-12-20-15(3)4/h14-16H,5-13H2,1-4H3
InChIKeyOUUGGQZUYFBCSE-UHFFFAOYSA-N
MW283.46 g/mol
LogP3.87
Rot. Bonds8

About 1-[4-(2-methylpropyl)piperidin-1-yl]-5-propan-2-yloxypentan-1-one

1-[4-(2-methylpropyl)piperidin-1-yl]-5-propan-2-yloxypentan-1-one (PubChem CID 165108720) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is 1-[4-(2-methylpropyl)piperidin-1-yl]-5-propan-2-yloxypentan-1-one.

Molecular Properties

Compound Name1-[4-(2-methylpropyl)piperidin-1-yl]-5-propan-2-yloxypentan-1-one
PubChem CID165108720
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Name1-[4-(2-methylpropyl)piperidin-1-yl]-5-propan-2-yloxypentan-1-one
SMILESCC(C)CC1CCN(C(=O)CCCCOC(C)C)CC1
InChIInChI=1S/C17H33NO2/c1-14(2)13-16-8-10-18(11-9-16)17(19)7-5-6-12-20-15(3)4/h14-16H,5-13H2,1-4H3
InChIKeyOUUGGQZUYFBCSE-UHFFFAOYSA-N
XLogP3.87
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(2-methylpropyl)piperidin-1-yl]pentan-1-one
CID 171554697
2-propan-2-yloxy-1-[4-(4-propan-2-yloxybutyl)piperidin-1-yl]ethanone
CID 167478681
1-[4-(ethylamino)piperidin-1-yl]-5-propan-2-yloxypentan-1-one;molecular hydrogen
CID 166466880
2-(dimethylamino)-1-[4-(2-methylpropyl)piperidin-1-yl]ethanone
CID 59001118
1-[4-(1-aminoethyl)piperidin-1-yl]-3-propan-2-yloxypropan-1-one
CID 119517505
1-[3-(aminomethyl)pyrrolidin-1-yl]-3-propan-2-yloxypropan-1-one
CID 119484003
5-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)pentan-1-one
CID 103503955
(4-methylpiperidin-1-yl)-[4-(2-methylpropyl)piperidin-1-yl]methanone
CID 167480595
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-propan-2-yloxyethanone
CID 112701498
1-[4-(2-aminoethyl)piperidin-1-yl]-2-propan-2-yloxyethanone
CID 112603420
N-[1-(5-methoxypentanoyl)piperidin-4-yl]formamide
CID 155599544
4-(3-methylbutoxy)-1-[3-(propan-2-yloxymethyl)azetidin-1-yl]butan-1-one
CID 156820437

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylpropyl)piperidin-1-yl]-5-propan-2-yloxypentan-1-one?
The IUPAC name of 1-[4-(2-methylpropyl)piperidin-1-yl]-5-propan-2-yloxypentan-1-one (CID 165108720) is 1-[4-(2-methylpropyl)piperidin-1-yl]-5-propan-2-yloxypentan-1-one.
What is the SMILES notation for 1-[4-(2-methylpropyl)piperidin-1-yl]-5-propan-2-yloxypentan-1-one?
The canonical SMILES for 1-[4-(2-methylpropyl)piperidin-1-yl]-5-propan-2-yloxypentan-1-one is CC(C)CC1CCN(C(=O)CCCCOC(C)C)CC1.
What is the InChIKey of 1-[4-(2-methylpropyl)piperidin-1-yl]-5-propan-2-yloxypentan-1-one?
The InChIKey is OUUGGQZUYFBCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-14(2)13-16-8-10-18(11-9-16)17(19)7-5-6-12-20-15(3)4/h14-16H,5-13H2,1-4H3.
What are the key properties of 1-[4-(2-methylpropyl)piperidin-1-yl]-5-propan-2-yloxypentan-1-one?
1-[4-(2-methylpropyl)piperidin-1-yl]-5-propan-2-yloxypentan-1-one has a molecular weight of 283.46 g/mol, XLogP of 3.87, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylpropyl)piperidin-1-yl]-5-propan-2-yloxypentan-1-one is sourced from PubChem (CID 165108720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).