2-piperidin-4-ylpropan-2-yl heptanoate

C15H29NO2 — CID 155075502

IUPAC2-piperidin-4-ylpropan-2-yl heptanoate
SMILESCCCCCCC(=O)OC(C)(C)C1CCNCC1
InChIInChI=1S/C15H29NO2/c1-4-5-6-7-8-14(17)18-15(2,3)13-9-11-16-12-10-13/h13,16H,4-12H2,1-3H3
InChIKeyPTYOORQNPXIJGT-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.28
Rot. Bonds7

About 2-piperidin-4-ylpropan-2-yl heptanoate

2-piperidin-4-ylpropan-2-yl heptanoate (PubChem CID 155075502) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 2-piperidin-4-ylpropan-2-yl heptanoate.

Molecular Properties

Compound Name2-piperidin-4-ylpropan-2-yl heptanoate
PubChem CID155075502
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name2-piperidin-4-ylpropan-2-yl heptanoate
SMILESCCCCCCC(=O)OC(C)(C)C1CCNCC1
InChIInChI=1S/C15H29NO2/c1-4-5-6-7-8-14(17)18-15(2,3)13-9-11-16-12-10-13/h13,16H,4-12H2,1-3H3
InChIKeyPTYOORQNPXIJGT-UHFFFAOYSA-N
XLogP3.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-piperidin-4-ylpropan-2-yl octacosa-10,12-diynoate
CID 155605349
1-O-tert-butyl 12-O-(2-piperidin-4-ylpropan-2-yl) dodecanedioate
CID 155075819
2-piperidin-4-ylpropan-2-yl 6-bromohexanoate
CID 155605241
2-piperidin-4-ylpropan-2-yl propanoate
CID 155605403
2-piperidin-4-ylpropan-2-yl 3-[3-oxo-3-(2-piperidin-4-ylpropan-2-yloxy)propyl]sulfanylpropanoate
CID 155075563
2-(azetidin-1-ium-3-yl)propan-2-yl octadecanoate
CID 167316266
2-piperidin-4-ylpropan-2-yl 5-phenylpentanoate
CID 155076614
bis(2-piperidin-4-ylpropan-2-yl) 2,2-dimethylpentanedioate
CID 155075566
2-piperidin-4-ylpropan-2-yl 2-sulfanylacetate
CID 168757919
2-piperidin-4-ylpropan-2-yl 4-(4-bromophenyl)butanoate
CID 155605361
2-(4-methylidenecyclohexyl)propan-2-yl pentanoate
CID 535144
tert-butyl octacosanoate
CID 174872722

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-ylpropan-2-yl heptanoate?
The IUPAC name of 2-piperidin-4-ylpropan-2-yl heptanoate (CID 155075502) is 2-piperidin-4-ylpropan-2-yl heptanoate.
What is the SMILES notation for 2-piperidin-4-ylpropan-2-yl heptanoate?
The canonical SMILES for 2-piperidin-4-ylpropan-2-yl heptanoate is CCCCCCC(=O)OC(C)(C)C1CCNCC1.
What is the InChIKey of 2-piperidin-4-ylpropan-2-yl heptanoate?
The InChIKey is PTYOORQNPXIJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-4-5-6-7-8-14(17)18-15(2,3)13-9-11-16-12-10-13/h13,16H,4-12H2,1-3H3.
What are the key properties of 2-piperidin-4-ylpropan-2-yl heptanoate?
2-piperidin-4-ylpropan-2-yl heptanoate has a molecular weight of 255.40 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-ylpropan-2-yl heptanoate is sourced from PubChem (CID 155075502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).