2-[5-(4-methylpiperidin-1-yl)pentoxy]acetic acid

C13H25NO3 — CID 163629544

IUPAC2-[5-(4-methylpiperidin-1-yl)pentoxy]acetic acid
SMILESCC1CCN(CCCCCOCC(=O)O)CC1
InChIInChI=1S/C13H25NO3/c1-12-5-8-14(9-6-12)7-3-2-4-10-17-11-13(15)16/h12H,2-11H2,1H3,(H,15,16)
InChIKeyDKQPOEHKHUKANP-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.99
Rot. Bonds8

About 2-[5-(4-methylpiperidin-1-yl)pentoxy]acetic acid

2-[5-(4-methylpiperidin-1-yl)pentoxy]acetic acid (PubChem CID 163629544) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-[5-(4-methylpiperidin-1-yl)pentoxy]acetic acid.

Molecular Properties

Compound Name2-[5-(4-methylpiperidin-1-yl)pentoxy]acetic acid
PubChem CID163629544
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name2-[5-(4-methylpiperidin-1-yl)pentoxy]acetic acid
SMILESCC1CCN(CCCCCOCC(=O)O)CC1
InChIInChI=1S/C13H25NO3/c1-12-5-8-14(9-6-12)7-3-2-4-10-17-11-13(15)16/h12H,2-11H2,1H3,(H,15,16)
InChIKeyDKQPOEHKHUKANP-UHFFFAOYSA-N
XLogP1.99
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.99
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

N-methyl-2-[2-[5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]pentoxy]ethoxy]acetamide
CID 134582620
2-[1-(3-ethoxypropyl)piperidin-4-yl]oxyacetic acid
CID 65180545
N-methyl-2-[5-[4-[2-[[2-[4-(4-methylpiperidin-1-yl)butoxy]acetyl]amino]ethyl]piperidin-1-yl]pentoxy]acetamide
CID 147513426
2-[2-(3-fluoropyrrolidin-1-yl)ethoxy]acetic acid
CID 167713960
2-(1-heptylpiperidin-4-yl)oxyacetic acid
CID 63905083
2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidin-4-yl]oxyacetic acid
CID 104564872
2-[2-[(4-methylpiperidine-1-carbonyl)amino]ethoxy]acetic acid
CID 79457260
2-bromo-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide
CID 63679463
7-(4-methylpiperidin-1-yl)heptan-1-amine
CID 28596817
2-[2-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]ethoxy]acetic acid
CID 176958923
2-(4-methylpiperidin-1-yl)acetic acid
CID 3153128
2-octadecoxyacetic acid
CID 4147678

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methylpiperidin-1-yl)pentoxy]acetic acid?
The IUPAC name of 2-[5-(4-methylpiperidin-1-yl)pentoxy]acetic acid (CID 163629544) is 2-[5-(4-methylpiperidin-1-yl)pentoxy]acetic acid.
What is the SMILES notation for 2-[5-(4-methylpiperidin-1-yl)pentoxy]acetic acid?
The canonical SMILES for 2-[5-(4-methylpiperidin-1-yl)pentoxy]acetic acid is CC1CCN(CCCCCOCC(=O)O)CC1.
What is the InChIKey of 2-[5-(4-methylpiperidin-1-yl)pentoxy]acetic acid?
The InChIKey is DKQPOEHKHUKANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-12-5-8-14(9-6-12)7-3-2-4-10-17-11-13(15)16/h12H,2-11H2,1H3,(H,15,16).
What are the key properties of 2-[5-(4-methylpiperidin-1-yl)pentoxy]acetic acid?
2-[5-(4-methylpiperidin-1-yl)pentoxy]acetic acid has a molecular weight of 243.35 g/mol, XLogP of 1.99, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methylpiperidin-1-yl)pentoxy]acetic acid is sourced from PubChem (CID 163629544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).