4-(1-methylpiperidin-4-yl)oxybenzoic acid;hydrochloride

C13H18ClNO3 — CID 56832385

IUPAC4-(1-methylpiperidin-4-yl)oxybenzoic acid;hydrochloride
SMILESCN1CCC(Oc2ccc(C(=O)O)cc2)CC1.Cl
InChIInChI=1S/C13H17NO3.ClH/c1-14-8-6-12(7-9-14)17-11-4-2-10(3-5-11)13(15)16;/h2-5,12H,6-9H2,1H3,(H,15,16);1H
InChIKeyMDDOCCNDVQLAER-UHFFFAOYSA-N
MW271.74 g/mol
LogP2.28
Rot. Bonds3

About 4-(1-methylpiperidin-4-yl)oxybenzoic acid;hydrochloride

4-(1-methylpiperidin-4-yl)oxybenzoic acid;hydrochloride (PubChem CID 56832385) has the molecular formula C13H18ClNO3 and a molecular weight of 271.74 g/mol. Its IUPAC name is 4-(1-methylpiperidin-4-yl)oxybenzoic acid;hydrochloride.

Molecular Properties

Compound Name4-(1-methylpiperidin-4-yl)oxybenzoic acid;hydrochloride
PubChem CID56832385
Molecular FormulaC13H18ClNO3
Molecular Weight271.74 g/mol
Exact Mass271.10
IUPAC Name4-(1-methylpiperidin-4-yl)oxybenzoic acid;hydrochloride
SMILESCN1CCC(Oc2ccc(C(=O)O)cc2)CC1.Cl
InChIInChI=1S/C13H17NO3.ClH/c1-14-8-6-12(7-9-14)17-11-4-2-10(3-5-11)13(15)16;/h2-5,12H,6-9H2,1H3,(H,15,16);1H
InChIKeyMDDOCCNDVQLAER-UHFFFAOYSA-N
XLogP2.28
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.74
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpiperidin-4-yl)oxybenzoic acid;hydrochloride?
The IUPAC name of 4-(1-methylpiperidin-4-yl)oxybenzoic acid;hydrochloride (CID 56832385) is 4-(1-methylpiperidin-4-yl)oxybenzoic acid;hydrochloride.
What is the SMILES notation for 4-(1-methylpiperidin-4-yl)oxybenzoic acid;hydrochloride?
The canonical SMILES for 4-(1-methylpiperidin-4-yl)oxybenzoic acid;hydrochloride is CN1CCC(Oc2ccc(C(=O)O)cc2)CC1.Cl.
What is the InChIKey of 4-(1-methylpiperidin-4-yl)oxybenzoic acid;hydrochloride?
The InChIKey is MDDOCCNDVQLAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3.ClH/c1-14-8-6-12(7-9-14)17-11-4-2-10(3-5-11)13(15)16;/h2-5,12H,6-9H2,1H3,(H,15,16);1H.
What are the key properties of 4-(1-methylpiperidin-4-yl)oxybenzoic acid;hydrochloride?
4-(1-methylpiperidin-4-yl)oxybenzoic acid;hydrochloride has a molecular weight of 271.74 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpiperidin-4-yl)oxybenzoic acid;hydrochloride is sourced from PubChem (CID 56832385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).