2-piperidin-4-ylpropan-2-yl 4-(4-bromophenyl)butanoate

C18H26BrNO2 — CID 155605361

IUPAC2-piperidin-4-ylpropan-2-yl 4-(4-bromophenyl)butanoate
SMILESCC(C)(OC(=O)CCCc1ccc(Br)cc1)C1CCNCC1
InChIInChI=1S/C18H26BrNO2/c1-18(2,15-10-12-20-13-11-15)22-17(21)5-3-4-14-6-8-16(19)9-7-14/h6-9,15,20H,3-5,10-13H2,1-2H3
InChIKeyZXKRLBAUUCZHCT-UHFFFAOYSA-N
MW368.32 g/mol
LogP4.09
Rot. Bonds6

About 2-piperidin-4-ylpropan-2-yl 4-(4-bromophenyl)butanoate

2-piperidin-4-ylpropan-2-yl 4-(4-bromophenyl)butanoate (PubChem CID 155605361) has the molecular formula C18H26BrNO2 and a molecular weight of 368.32 g/mol. Its IUPAC name is 2-piperidin-4-ylpropan-2-yl 4-(4-bromophenyl)butanoate.

Molecular Properties

Compound Name2-piperidin-4-ylpropan-2-yl 4-(4-bromophenyl)butanoate
PubChem CID155605361
Molecular FormulaC18H26BrNO2
Molecular Weight368.32 g/mol
Exact Mass367.11
IUPAC Name2-piperidin-4-ylpropan-2-yl 4-(4-bromophenyl)butanoate
SMILESCC(C)(OC(=O)CCCc1ccc(Br)cc1)C1CCNCC1
InChIInChI=1S/C18H26BrNO2/c1-18(2,15-10-12-20-13-11-15)22-17(21)5-3-4-14-6-8-16(19)9-7-14/h6-9,15,20H,3-5,10-13H2,1-2H3
InChIKeyZXKRLBAUUCZHCT-UHFFFAOYSA-N
XLogP4.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.32
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-piperidin-4-ylpropan-2-yl 5-phenylpentanoate
CID 155076614
2-piperidin-4-ylpropan-2-yl 6-bromohexanoate
CID 155605241
2-piperidin-4-ylpropan-2-yl 4-bromobenzoate
CID 155605413
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-4-ylpropan-2-yl 2-(2-bromophenyl)acetate
CID 155605208
2-piperidin-4-ylpropan-2-yl (E)-3-(4-bromophenyl)prop-2-enoate
CID 155605294
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
bis(2-piperidin-4-ylpropan-2-yl) 2,2-dimethylpentanedioate
CID 155075566
bis(2-piperidin-4-ylpropan-2-yl) 5-bromobenzene-1,3-dicarboxylate
CID 155605297
2-piperidin-4-ylpropan-2-yl 2-sulfanylacetate
CID 168757919

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-ylpropan-2-yl 4-(4-bromophenyl)butanoate?
The IUPAC name of 2-piperidin-4-ylpropan-2-yl 4-(4-bromophenyl)butanoate (CID 155605361) is 2-piperidin-4-ylpropan-2-yl 4-(4-bromophenyl)butanoate.
What is the SMILES notation for 2-piperidin-4-ylpropan-2-yl 4-(4-bromophenyl)butanoate?
The canonical SMILES for 2-piperidin-4-ylpropan-2-yl 4-(4-bromophenyl)butanoate is CC(C)(OC(=O)CCCc1ccc(Br)cc1)C1CCNCC1.
What is the InChIKey of 2-piperidin-4-ylpropan-2-yl 4-(4-bromophenyl)butanoate?
The InChIKey is ZXKRLBAUUCZHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26BrNO2/c1-18(2,15-10-12-20-13-11-15)22-17(21)5-3-4-14-6-8-16(19)9-7-14/h6-9,15,20H,3-5,10-13H2,1-2H3.
What are the key properties of 2-piperidin-4-ylpropan-2-yl 4-(4-bromophenyl)butanoate?
2-piperidin-4-ylpropan-2-yl 4-(4-bromophenyl)butanoate has a molecular weight of 368.32 g/mol, XLogP of 4.09, 6 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 4-(4-bromophenyl)butanoate is sourced from PubChem (CID 155605361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).