3-[1-hydroxy-4-(2-methylpropylamino)butyl]piperidine-1-carboxylic acid

C14H28N2O3 — CID 68849549

IUPAC3-[1-hydroxy-4-(2-methylpropylamino)butyl]piperidine-1-carboxylic acid
SMILESCC(C)CNCCCC(O)C1CCCN(C(=O)O)C1
InChIInChI=1S/C14H28N2O3/c1-11(2)9-15-7-3-6-13(17)12-5-4-8-16(10-12)14(18)19/h11-13,15,17H,3-10H2,1-2H3,(H,18,19)
InChIKeyKEPUFZJFQLVQLI-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.76
Rot. Bonds7

About 3-[1-hydroxy-4-(2-methylpropylamino)butyl]piperidine-1-carboxylic acid

3-[1-hydroxy-4-(2-methylpropylamino)butyl]piperidine-1-carboxylic acid (PubChem CID 68849549) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 3-[1-hydroxy-4-(2-methylpropylamino)butyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-[1-hydroxy-4-(2-methylpropylamino)butyl]piperidine-1-carboxylic acid
PubChem CID68849549
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name3-[1-hydroxy-4-(2-methylpropylamino)butyl]piperidine-1-carboxylic acid
SMILESCC(C)CNCCCC(O)C1CCCN(C(=O)O)C1
InChIInChI=1S/C14H28N2O3/c1-11(2)9-15-7-3-6-13(17)12-5-4-8-16(10-12)14(18)19/h11-13,15,17H,3-10H2,1-2H3,(H,18,19)
InChIKeyKEPUFZJFQLVQLI-UHFFFAOYSA-N
XLogP1.76
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[1-hydroxy-4-(2-methylpropylamino)butyl]piperidine-1-carboxylic acid?
The IUPAC name of 3-[1-hydroxy-4-(2-methylpropylamino)butyl]piperidine-1-carboxylic acid (CID 68849549) is 3-[1-hydroxy-4-(2-methylpropylamino)butyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 3-[1-hydroxy-4-(2-methylpropylamino)butyl]piperidine-1-carboxylic acid?
The canonical SMILES for 3-[1-hydroxy-4-(2-methylpropylamino)butyl]piperidine-1-carboxylic acid is CC(C)CNCCCC(O)C1CCCN(C(=O)O)C1.
What is the InChIKey of 3-[1-hydroxy-4-(2-methylpropylamino)butyl]piperidine-1-carboxylic acid?
The InChIKey is KEPUFZJFQLVQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-11(2)9-15-7-3-6-13(17)12-5-4-8-16(10-12)14(18)19/h11-13,15,17H,3-10H2,1-2H3,(H,18,19).
What are the key properties of 3-[1-hydroxy-4-(2-methylpropylamino)butyl]piperidine-1-carboxylic acid?
3-[1-hydroxy-4-(2-methylpropylamino)butyl]piperidine-1-carboxylic acid has a molecular weight of 272.39 g/mol, XLogP of 1.76, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-hydroxy-4-(2-methylpropylamino)butyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 68849549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).