2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]acetic acid;hydrochloride

C11H21ClN2O3 — CID 67009184

IUPAC2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]acetic acid;hydrochloride
SMILESCl.O=C(O)CN1CCN(CC2CCCO2)CC1
InChIInChI=1S/C11H20N2O3.ClH/c14-11(15)9-13-5-3-12(4-6-13)8-10-2-1-7-16-10;/h10H,1-9H2,(H,14,15);1H
InChIKeyFISWNOCXHKRYBZ-UHFFFAOYSA-N
MW264.75 g/mol
LogP0.29
Rot. Bonds4

About 2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]acetic acid;hydrochloride

2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]acetic acid;hydrochloride (PubChem CID 67009184) has the molecular formula C11H21ClN2O3 and a molecular weight of 264.75 g/mol. Its IUPAC name is 2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]acetic acid;hydrochloride.

Molecular Properties

Compound Name2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]acetic acid;hydrochloride
PubChem CID67009184
Molecular FormulaC11H21ClN2O3
Molecular Weight264.75 g/mol
Exact Mass264.12
IUPAC Name2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]acetic acid;hydrochloride
SMILESCl.O=C(O)CN1CCN(CC2CCCO2)CC1
InChIInChI=1S/C11H20N2O3.ClH/c14-11(15)9-13-5-3-12(4-6-13)8-10-2-1-7-16-10;/h10H,1-9H2,(H,14,15);1H
InChIKeyFISWNOCXHKRYBZ-UHFFFAOYSA-N
XLogP0.29
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.75
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-oxo-3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propanoic acid
CID 62230246
2-[1-(oxolan-2-ylmethyl)piperidin-4-yl]acetic acid
CID 79608204
4-oxo-4-[4-(oxolan-2-ylmethyl)piperazin-1-yl]butanoic acid
CID 60662642
1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone
CID 23402911
1-(oxolan-2-ylmethyl)piperidine-4,4-dicarboxylic acid
CID 117007978
2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propanoic acid
CID 55091476
cyclobutyl-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methanone
CID 94794131
2-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]-N,N-bis(prop-2-enyl)acetamide
CID 94759249
2-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]ethanol
CID 94190741
1-(iodomethyl)-4-(oxolan-2-ylmethyl)piperazine
CID 163911646
2-[(3R)-1-[[(2S)-oxolan-2-yl]methyl]pyrrolidin-3-yl]acetic acid
CID 86324388
N-methyl-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 95632778

Frequently Asked Questions

What is the IUPAC name of 2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]acetic acid;hydrochloride?
The IUPAC name of 2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]acetic acid;hydrochloride (CID 67009184) is 2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]acetic acid;hydrochloride.
What is the SMILES notation for 2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]acetic acid;hydrochloride?
The canonical SMILES for 2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]acetic acid;hydrochloride is Cl.O=C(O)CN1CCN(CC2CCCO2)CC1.
What is the InChIKey of 2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]acetic acid;hydrochloride?
The InChIKey is FISWNOCXHKRYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3.ClH/c14-11(15)9-13-5-3-12(4-6-13)8-10-2-1-7-16-10;/h10H,1-9H2,(H,14,15);1H.
What are the key properties of 2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]acetic acid;hydrochloride?
2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]acetic acid;hydrochloride has a molecular weight of 264.75 g/mol, XLogP of 0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]acetic acid;hydrochloride is sourced from PubChem (CID 67009184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).