2-[1-[2-(3-methylbutoxy)ethyl]piperidin-3-yl]acetic acid

C14H27NO3 — CID 62691306

IUPAC2-[1-[2-(3-methylbutoxy)ethyl]piperidin-3-yl]acetic acid
SMILESCC(C)CCOCCN1CCCC(CC(=O)O)C1
InChIInChI=1S/C14H27NO3/c1-12(2)5-8-18-9-7-15-6-3-4-13(11-15)10-14(16)17/h12-13H,3-11H2,1-2H3,(H,16,17)
InChIKeyPDHPSFBUQIUOPE-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.24
Rot. Bonds8

About 2-[1-[2-(3-methylbutoxy)ethyl]piperidin-3-yl]acetic acid

2-[1-[2-(3-methylbutoxy)ethyl]piperidin-3-yl]acetic acid (PubChem CID 62691306) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is 2-[1-[2-(3-methylbutoxy)ethyl]piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(3-methylbutoxy)ethyl]piperidin-3-yl]acetic acid
PubChem CID62691306
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name2-[1-[2-(3-methylbutoxy)ethyl]piperidin-3-yl]acetic acid
SMILESCC(C)CCOCCN1CCCC(CC(=O)O)C1
InChIInChI=1S/C14H27NO3/c1-12(2)5-8-18-9-7-15-6-3-4-13(11-15)10-14(16)17/h12-13H,3-11H2,1-2H3,(H,16,17)
InChIKeyPDHPSFBUQIUOPE-UHFFFAOYSA-N
XLogP2.24
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(2-propan-2-yloxyethyl)piperidin-3-yl]acetic acid
CID 62689073
2-[1-[2-(3-methylbutoxy)ethyl]piperidin-3-yl]ethanol
CID 62358329
2-[(3R)-1-(2-methylpropyl)piperidin-3-yl]acetic acid
CID 86324356
3-chloro-1-[2-(3-methylbutoxy)ethyl]piperidine
CID 63386728
2-(1-decylpiperidin-3-yl)acetic acid
CID 62689590
3-bromo-1-[2-(3-methylbutoxy)ethyl]piperidine
CID 80680216
2-[(3R)-1-methylpiperidin-3-yl]acetic acid
CID 67245614
2-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-3-yl]acetic acid
CID 62689445
3-[1-[2-(3-methylbutoxy)ethyl]piperidin-4-yl]oxypropanoic acid
CID 63905147
2-[1-[(4-propan-2-ylcyclohexyl)methyl]piperidin-3-yl]acetic acid
CID 155068611
2-[1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperidin-3-yl]acetic acid
CID 55105432
2-[1-(3-butoxy-2-hydroxypropyl)piperidin-3-yl]acetic acid
CID 107263568

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(3-methylbutoxy)ethyl]piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[2-(3-methylbutoxy)ethyl]piperidin-3-yl]acetic acid (CID 62691306) is 2-[1-[2-(3-methylbutoxy)ethyl]piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-(3-methylbutoxy)ethyl]piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[2-(3-methylbutoxy)ethyl]piperidin-3-yl]acetic acid is CC(C)CCOCCN1CCCC(CC(=O)O)C1.
What is the InChIKey of 2-[1-[2-(3-methylbutoxy)ethyl]piperidin-3-yl]acetic acid?
The InChIKey is PDHPSFBUQIUOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-12(2)5-8-18-9-7-15-6-3-4-13(11-15)10-14(16)17/h12-13H,3-11H2,1-2H3,(H,16,17).
What are the key properties of 2-[1-[2-(3-methylbutoxy)ethyl]piperidin-3-yl]acetic acid?
2-[1-[2-(3-methylbutoxy)ethyl]piperidin-3-yl]acetic acid has a molecular weight of 257.37 g/mol, XLogP of 2.24, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(3-methylbutoxy)ethyl]piperidin-3-yl]acetic acid is sourced from PubChem (CID 62691306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).