4-(2-methoxyethyl)piperidine-4-carboxylic acid;hydrochloride

C9H18ClNO3 — CID 67624891

IUPAC4-(2-methoxyethyl)piperidine-4-carboxylic acid;hydrochloride
SMILESCOCCC1(C(=O)O)CCNCC1.Cl
InChIInChI=1S/C9H17NO3.ClH/c1-13-7-4-9(8(11)12)2-5-10-6-3-9;/h10H,2-7H2,1H3,(H,11,12);1H
InChIKeyZHRXCUSCUKUNJY-UHFFFAOYSA-N
MW223.70 g/mol
LogP0.90
Rot. Bonds4

About 4-(2-methoxyethyl)piperidine-4-carboxylic acid;hydrochloride

4-(2-methoxyethyl)piperidine-4-carboxylic acid;hydrochloride (PubChem CID 67624891) has the molecular formula C9H18ClNO3 and a molecular weight of 223.70 g/mol. Its IUPAC name is 4-(2-methoxyethyl)piperidine-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4-(2-methoxyethyl)piperidine-4-carboxylic acid;hydrochloride
PubChem CID67624891
Molecular FormulaC9H18ClNO3
Molecular Weight223.70 g/mol
Exact Mass223.10
IUPAC Name4-(2-methoxyethyl)piperidine-4-carboxylic acid;hydrochloride
SMILESCOCCC1(C(=O)O)CCNCC1.Cl
InChIInChI=1S/C9H17NO3.ClH/c1-13-7-4-9(8(11)12)2-5-10-6-3-9;/h10H,2-7H2,1H3,(H,11,12);1H
InChIKeyZHRXCUSCUKUNJY-UHFFFAOYSA-N
XLogP0.90
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.70
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 4-methylpiperidine-4-carboxylate hydrochloride
CID 19361804
4-Ethylpiperidine-4-carboxylic acid hydrochloride
CID 50944202
2-Oxa-8-azaspiro[4.5]decan-1-one hydrochloride
CID 55265571
Methyl 4-methylpiperidine-4-carboxylate hydrochloride
CID 56773794
Methyl 4-ethylpiperidine-4-carboxylate hydrochloride
CID 56773797
2-[4-(Aminomethyl)piperidin-4-yl]acetic acid;hydrochloride
CID 45260320
4-(Methoxymethyl)piperidine-4-carboxylic acid hydrochloride
CID 91647750
Methyl 4-(2-methoxyethyl)piperidine-4-carboxylate hydrochloride
CID 137965960
4-(2-Methoxyethyl)-1-methylpiperidine-4-carboxylic acid hydrochloride
CID 138039478
4-(2-Methoxyethyl)-1-methylpiperidine-4-carboxylic acid
CID 138039479
4-(Carboxymethyl)piperidine-4-carboxylic acid;hydrochloride
CID 170342149
4-[2-(2,2,2-Trifluoroethoxy)ethyl]piperidine-4-carboxylic acid
CID 63129852

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethyl)piperidine-4-carboxylic acid;hydrochloride?
The IUPAC name of 4-(2-methoxyethyl)piperidine-4-carboxylic acid;hydrochloride (CID 67624891) is 4-(2-methoxyethyl)piperidine-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 4-(2-methoxyethyl)piperidine-4-carboxylic acid;hydrochloride?
The canonical SMILES for 4-(2-methoxyethyl)piperidine-4-carboxylic acid;hydrochloride is COCCC1(C(=O)O)CCNCC1.Cl.
What is the InChIKey of 4-(2-methoxyethyl)piperidine-4-carboxylic acid;hydrochloride?
The InChIKey is ZHRXCUSCUKUNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3.ClH/c1-13-7-4-9(8(11)12)2-5-10-6-3-9;/h10H,2-7H2,1H3,(H,11,12);1H.
What are the key properties of 4-(2-methoxyethyl)piperidine-4-carboxylic acid;hydrochloride?
4-(2-methoxyethyl)piperidine-4-carboxylic acid;hydrochloride has a molecular weight of 223.70 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethyl)piperidine-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 67624891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).