butyl 2-[2-(1-hydroxypropyl)piperidin-1-yl]acetate

C14H27NO3 — CID 111462660

IUPACbutyl 2-[2-(1-hydroxypropyl)piperidin-1-yl]acetate
SMILESCCCCOC(=O)CN1CCCCC1C(O)CC
InChIInChI=1S/C14H27NO3/c1-3-5-10-18-14(17)11-15-9-7-6-8-12(15)13(16)4-2/h12-13,16H,3-11H2,1-2H3
InChIKeyAVNGKGKIJQFKQI-UHFFFAOYSA-N
MW257.37 g/mol
LogP1.96
Rot. Bonds7

About butyl 2-[2-(1-hydroxypropyl)piperidin-1-yl]acetate

butyl 2-[2-(1-hydroxypropyl)piperidin-1-yl]acetate (PubChem CID 111462660) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is butyl 2-[2-(1-hydroxypropyl)piperidin-1-yl]acetate.

Molecular Properties

Compound Namebutyl 2-[2-(1-hydroxypropyl)piperidin-1-yl]acetate
PubChem CID111462660
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Namebutyl 2-[2-(1-hydroxypropyl)piperidin-1-yl]acetate
SMILESCCCCOC(=O)CN1CCCCC1C(O)CC
InChIInChI=1S/C14H27NO3/c1-3-5-10-18-14(17)11-15-9-7-6-8-12(15)13(16)4-2/h12-13,16H,3-11H2,1-2H3
InChIKeyAVNGKGKIJQFKQI-UHFFFAOYSA-N
XLogP1.96
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze butyl 2-[2-(1-hydroxypropyl)piperidin-1-yl]acetate 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

N-cyclohexyl-2-[2-(1-hydroxypropyl)piperidin-1-yl]acetamide
CID 111333494
propan-2-yl 3-[2-(1-hydroxypropyl)piperidin-1-yl]propanoate
CID 111488180
(1S)-1-[(2R)-1-(2-ethoxyethyl)piperidin-2-yl]propan-1-ol
CID 95634837
butyl 2-(4-cyclopentylpiperazin-1-yl)acetate
CID 55024857
butyl 2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetate
CID 134055061
butyl (2R)-2-cyclopentyl-2-hydroxyacetate
CID 177105637
tert-butyl 2-[2-(1-hydroxyethyl)piperidin-1-yl]acetate
CID 111106840
propan-2-yl 2-[2-(1-aminoethyl)piperidin-1-yl]acetate
CID 63255309
2-[2-(1-hydroxypropyl)piperidin-1-yl]-N-(3-phenylpropyl)acetamide
CID 111333468
1-(1-butylsulfonylpiperidin-2-yl)propan-1-ol
CID 111439996
butyl 2-(3-methylpiperidin-1-yl)acetate
CID 60683573
ethyl 2-[2-(2-hydroxypropyl)piperidin-1-yl]acetate
CID 114338113

Frequently Asked Questions

What is the IUPAC name of butyl 2-[2-(1-hydroxypropyl)piperidin-1-yl]acetate?
The IUPAC name of butyl 2-[2-(1-hydroxypropyl)piperidin-1-yl]acetate (CID 111462660) is butyl 2-[2-(1-hydroxypropyl)piperidin-1-yl]acetate.
What is the SMILES notation for butyl 2-[2-(1-hydroxypropyl)piperidin-1-yl]acetate?
The canonical SMILES for butyl 2-[2-(1-hydroxypropyl)piperidin-1-yl]acetate is CCCCOC(=O)CN1CCCCC1C(O)CC.
What is the InChIKey of butyl 2-[2-(1-hydroxypropyl)piperidin-1-yl]acetate?
The InChIKey is AVNGKGKIJQFKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-3-5-10-18-14(17)11-15-9-7-6-8-12(15)13(16)4-2/h12-13,16H,3-11H2,1-2H3.
What are the key properties of butyl 2-[2-(1-hydroxypropyl)piperidin-1-yl]acetate?
butyl 2-[2-(1-hydroxypropyl)piperidin-1-yl]acetate has a molecular weight of 257.37 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-[2-(1-hydroxypropyl)piperidin-1-yl]acetate is sourced from PubChem (CID 111462660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).