7-(4-propan-2-ylpiperidin-1-yl)heptan-2-one

C15H29NO — CID 155402306

IUPAC7-(4-propan-2-ylpiperidin-1-yl)heptan-2-one
SMILESCC(=O)CCCCCN1CCC(C(C)C)CC1
InChIInChI=1S/C15H29NO/c1-13(2)15-8-11-16(12-9-15)10-6-4-5-7-14(3)17/h13,15H,4-12H2,1-3H3
InChIKeySEZQKVALGPIVET-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.50
Rot. Bonds7

About 7-(4-propan-2-ylpiperidin-1-yl)heptan-2-one

7-(4-propan-2-ylpiperidin-1-yl)heptan-2-one (PubChem CID 155402306) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 7-(4-propan-2-ylpiperidin-1-yl)heptan-2-one.

Molecular Properties

Compound Name7-(4-propan-2-ylpiperidin-1-yl)heptan-2-one
PubChem CID155402306
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name7-(4-propan-2-ylpiperidin-1-yl)heptan-2-one
SMILESCC(=O)CCCCCN1CCC(C(C)C)CC1
InChIInChI=1S/C15H29NO/c1-13(2)15-8-11-16(12-9-15)10-6-4-5-7-14(3)17/h13,15H,4-12H2,1-3H3
InChIKeySEZQKVALGPIVET-UHFFFAOYSA-N
XLogP3.50
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.50
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

4-(4-propan-2-ylpiperidin-1-yl)butan-2-one
CID 57238765
2-methyl-6-(4-propan-2-ylpiperidin-1-yl)hexan-3-one
CID 155706991
6-(4-propan-2-ylpiperidin-1-yl)hexan-1-ol
CID 103738002
1-decyl-4-propan-2-ylpiperidine
CID 166461232
1-methyl-4-[5-(4-propan-2-ylpiperidin-1-yl)pentyl]piperazine
CID 163269266
5-(4-propan-2-ylpiperidin-1-yl)pentane-1-thiol
CID 103504387
1-(6-chlorohexyl)-4-propan-2-ylpiperidine
CID 103501532
6-(4-ethylpiperazin-1-yl)hexan-2-one
CID 43792758
N-[[1-(5-oxohexyl)piperidin-4-yl]methyl]acetamide
CID 102736688
(4-propan-2-ylpiperidin-1-yl)-[4-[3-(4-propan-2-ylpiperidin-1-yl)propyl]piperazin-1-yl]methanone
CID 167480116
1-(4-propan-2-ylpiperidin-1-yl)-4-[(3R)-3-propan-2-ylpyrrolidin-1-yl]butan-1-one
CID 167479469
1-[4-[3-(4-propan-2-ylpiperidin-1-yl)propyl]piperazin-1-yl]propan-1-one
CID 169188679

Frequently Asked Questions

What is the IUPAC name of 7-(4-propan-2-ylpiperidin-1-yl)heptan-2-one?
The IUPAC name of 7-(4-propan-2-ylpiperidin-1-yl)heptan-2-one (CID 155402306) is 7-(4-propan-2-ylpiperidin-1-yl)heptan-2-one.
What is the SMILES notation for 7-(4-propan-2-ylpiperidin-1-yl)heptan-2-one?
The canonical SMILES for 7-(4-propan-2-ylpiperidin-1-yl)heptan-2-one is CC(=O)CCCCCN1CCC(C(C)C)CC1.
What is the InChIKey of 7-(4-propan-2-ylpiperidin-1-yl)heptan-2-one?
The InChIKey is SEZQKVALGPIVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-13(2)15-8-11-16(12-9-15)10-6-4-5-7-14(3)17/h13,15H,4-12H2,1-3H3.
What are the key properties of 7-(4-propan-2-ylpiperidin-1-yl)heptan-2-one?
7-(4-propan-2-ylpiperidin-1-yl)heptan-2-one has a molecular weight of 239.40 g/mol, XLogP of 3.50, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-propan-2-ylpiperidin-1-yl)heptan-2-one is sourced from PubChem (CID 155402306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).