2-piperidin-4-ylpropan-2-yl 6-bromohexanoate

C14H26BrNO2 — CID 155605241

IUPAC2-piperidin-4-ylpropan-2-yl 6-bromohexanoate
SMILESCC(C)(OC(=O)CCCCCBr)C1CCNCC1
InChIInChI=1S/C14H26BrNO2/c1-14(2,12-7-10-16-11-8-12)18-13(17)6-4-3-5-9-15/h12,16H,3-11H2,1-2H3
InChIKeyCGCNDZHHXPHDLU-UHFFFAOYSA-N
MW320.27 g/mol
LogP3.26
Rot. Bonds7

About 2-piperidin-4-ylpropan-2-yl 6-bromohexanoate

2-piperidin-4-ylpropan-2-yl 6-bromohexanoate (PubChem CID 155605241) has the molecular formula C14H26BrNO2 and a molecular weight of 320.27 g/mol. Its IUPAC name is 2-piperidin-4-ylpropan-2-yl 6-bromohexanoate.

Molecular Properties

Compound Name2-piperidin-4-ylpropan-2-yl 6-bromohexanoate
PubChem CID155605241
Molecular FormulaC14H26BrNO2
Molecular Weight320.27 g/mol
Exact Mass319.11
IUPAC Name2-piperidin-4-ylpropan-2-yl 6-bromohexanoate
SMILESCC(C)(OC(=O)CCCCCBr)C1CCNCC1
InChIInChI=1S/C14H26BrNO2/c1-14(2,12-7-10-16-11-8-12)18-13(17)6-4-3-5-9-15/h12,16H,3-11H2,1-2H3
InChIKeyCGCNDZHHXPHDLU-UHFFFAOYSA-N
XLogP3.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-O-tert-butyl 12-O-(2-piperidin-4-ylpropan-2-yl) dodecanedioate
CID 155075819
2-piperidin-4-ylpropan-2-yl heptanoate
CID 155075502
2-piperidin-1-ium-4-ylpropan-2-yl 8-bromooctanoate
CID 167315242
2-piperidin-4-ylpropan-2-yl octacosa-10,12-diynoate
CID 155605349
2-piperidin-4-ylpropan-2-yl 3-[3-oxo-3-(2-piperidin-4-ylpropan-2-yloxy)propyl]sulfanylpropanoate
CID 155075563
2-piperidin-4-ylpropan-2-yl propanoate
CID 155605403
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 4-(4-bromophenyl)butanoate
CID 155605361
2-piperidin-4-ylpropan-2-yl 2-sulfanylacetate
CID 168757919
2-piperidin-4-ylpropan-2-yl 3,3-difluorobutanoate
CID 157326852
2-piperidin-4-ylpropan-2-yl (Z)-hex-3-enoate
CID 155075694

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-ylpropan-2-yl 6-bromohexanoate?
The IUPAC name of 2-piperidin-4-ylpropan-2-yl 6-bromohexanoate (CID 155605241) is 2-piperidin-4-ylpropan-2-yl 6-bromohexanoate.
What is the SMILES notation for 2-piperidin-4-ylpropan-2-yl 6-bromohexanoate?
The canonical SMILES for 2-piperidin-4-ylpropan-2-yl 6-bromohexanoate is CC(C)(OC(=O)CCCCCBr)C1CCNCC1.
What is the InChIKey of 2-piperidin-4-ylpropan-2-yl 6-bromohexanoate?
The InChIKey is CGCNDZHHXPHDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26BrNO2/c1-14(2,12-7-10-16-11-8-12)18-13(17)6-4-3-5-9-15/h12,16H,3-11H2,1-2H3.
What are the key properties of 2-piperidin-4-ylpropan-2-yl 6-bromohexanoate?
2-piperidin-4-ylpropan-2-yl 6-bromohexanoate has a molecular weight of 320.27 g/mol, XLogP of 3.26, 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 6-bromohexanoate is sourced from PubChem (CID 155605241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).