4-methyl-2-piperidin-1-ylpentanoic acid;hydrobromide

C11H22BrNO2 — CID 70074809

IUPAC4-methyl-2-piperidin-1-ylpentanoic acid;hydrobromide
SMILESBr.CC(C)CC(C(=O)O)N1CCCCC1
InChIInChI=1S/C11H21NO2.BrH/c1-9(2)8-10(11(13)14)12-6-4-3-5-7-12;/h9-10H,3-8H2,1-2H3,(H,13,14);1H
InChIKeyUXONYRMNYLJTJH-UHFFFAOYSA-N
MW280.21 g/mol
LogP2.55
Rot. Bonds4

About 4-methyl-2-piperidin-1-ylpentanoic acid;hydrobromide

4-methyl-2-piperidin-1-ylpentanoic acid;hydrobromide (PubChem CID 70074809) has the molecular formula C11H22BrNO2 and a molecular weight of 280.21 g/mol. Its IUPAC name is 4-methyl-2-piperidin-1-ylpentanoic acid;hydrobromide.

Molecular Properties

Compound Name4-methyl-2-piperidin-1-ylpentanoic acid;hydrobromide
PubChem CID70074809
Molecular FormulaC11H22BrNO2
Molecular Weight280.21 g/mol
Exact Mass279.08
IUPAC Name4-methyl-2-piperidin-1-ylpentanoic acid;hydrobromide
SMILESBr.CC(C)CC(C(=O)O)N1CCCCC1
InChIInChI=1S/C11H21NO2.BrH/c1-9(2)8-10(11(13)14)12-6-4-3-5-7-12;/h9-10H,3-8H2,1-2H3,(H,13,14);1H
InChIKeyUXONYRMNYLJTJH-UHFFFAOYSA-N
XLogP2.55
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.21
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(azocan-1-yl)butanoic acid
CID 43808973
(2R,4S)-2-amino-4-piperidin-1-ylpentanedioic acid
CID 23631709
2-(azepan-1-yl)pentanoic acid
CID 43866463
2-piperidin-1-ylheptanoic acid
CID 43803843
4-methyl-2-[4-(propan-2-ylamino)piperidin-1-yl]pentanoic acid;2,2,2-trifluoroacetic acid
CID 136576379
2-pyrrolidin-1-ylhex-4-ynoic acid
CID 142014835
6-methyl-4-piperidin-1-ylheptanoic acid
CID 112517978
2-[4,7-bis(1-carboxy-3-hydroxypropyl)-1,4,7-triazacycloundec-1-yl]-4-hydroxybutanoic acid
CID 140600194
5-methylsulfanyl-2-piperidin-1-ylpentanoic acid
CID 103090125
3-amino-2-piperidin-1-ylbutanoic acid
CID 67056291
(2S)-3-methyl-2-piperidin-1-ylbutanoic acid
CID 42304661
(2S)-2-(azepan-1-yl)-3-methylbutanoic acid
CID 42309998

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-piperidin-1-ylpentanoic acid;hydrobromide?
The IUPAC name of 4-methyl-2-piperidin-1-ylpentanoic acid;hydrobromide (CID 70074809) is 4-methyl-2-piperidin-1-ylpentanoic acid;hydrobromide.
What is the SMILES notation for 4-methyl-2-piperidin-1-ylpentanoic acid;hydrobromide?
The canonical SMILES for 4-methyl-2-piperidin-1-ylpentanoic acid;hydrobromide is Br.CC(C)CC(C(=O)O)N1CCCCC1.
What is the InChIKey of 4-methyl-2-piperidin-1-ylpentanoic acid;hydrobromide?
The InChIKey is UXONYRMNYLJTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2.BrH/c1-9(2)8-10(11(13)14)12-6-4-3-5-7-12;/h9-10H,3-8H2,1-2H3,(H,13,14);1H.
What are the key properties of 4-methyl-2-piperidin-1-ylpentanoic acid;hydrobromide?
4-methyl-2-piperidin-1-ylpentanoic acid;hydrobromide has a molecular weight of 280.21 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-piperidin-1-ylpentanoic acid;hydrobromide is sourced from PubChem (CID 70074809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).