4-butoxypiperidine-1-carboxylic acid

C10H19NO3 — CID 69380286

IUPAC4-butoxypiperidine-1-carboxylic acid
SMILESCCCCOC1CCN(C(=O)O)CC1
InChIInChI=1S/C10H19NO3/c1-2-3-8-14-9-4-6-11(7-5-9)10(12)13/h9H,2-8H2,1H3,(H,12,13)
InChIKeyJYAPYVMILKNBCV-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.95
Rot. Bonds4

About 4-butoxypiperidine-1-carboxylic acid

4-butoxypiperidine-1-carboxylic acid (PubChem CID 69380286) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 4-butoxypiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-butoxypiperidine-1-carboxylic acid
PubChem CID69380286
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name4-butoxypiperidine-1-carboxylic acid
SMILESCCCCOC1CCN(C(=O)O)CC1
InChIInChI=1S/C10H19NO3/c1-2-3-8-14-9-4-6-11(7-5-9)10(12)13/h9H,2-8H2,1H3,(H,12,13)
InChIKeyJYAPYVMILKNBCV-UHFFFAOYSA-N
XLogP1.95
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-butoxypiperidine-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-butoxypiperidin-1-yl)propan-1-one
CID 156794583
4-(4-bromobutoxy)piperidine-1-carboxylic acid
CID 22279485
4-(2-carboxyethoxy)piperidine-1-carboxylic acid
CID 154257989
4-(3-oxopropoxy)piperidine-1-carboxylic acid
CID 176652743
3-[1-(butylcarbamoyl)piperidin-4-yl]oxypropanoic acid
CID 55251437
4-butoxy-1-methylpiperidine;ethane
CID 143443948
4-propoxypiperidine-1-carbothioic S-acid
CID 169214588
1-[4-(2-pentoxyethoxy)piperidin-1-yl]propan-1-one
CID 164557491
1-[4-(2-aminoethoxy)piperidin-1-yl]decan-1-one
CID 82688423
(4-butoxypiperidin-1-yl)methanamine
CID 142616316
butoxycyclobutane
CID 54057236
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-propoxyethanone
CID 103807741

Frequently Asked Questions

What is the IUPAC name of 4-butoxypiperidine-1-carboxylic acid?
The IUPAC name of 4-butoxypiperidine-1-carboxylic acid (CID 69380286) is 4-butoxypiperidine-1-carboxylic acid.
What is the SMILES notation for 4-butoxypiperidine-1-carboxylic acid?
The canonical SMILES for 4-butoxypiperidine-1-carboxylic acid is CCCCOC1CCN(C(=O)O)CC1.
What is the InChIKey of 4-butoxypiperidine-1-carboxylic acid?
The InChIKey is JYAPYVMILKNBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-2-3-8-14-9-4-6-11(7-5-9)10(12)13/h9H,2-8H2,1H3,(H,12,13).
What are the key properties of 4-butoxypiperidine-1-carboxylic acid?
4-butoxypiperidine-1-carboxylic acid has a molecular weight of 201.27 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxypiperidine-1-carboxylic acid is sourced from PubChem (CID 69380286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).