3-[4-[4-(2-hydroxyethyl)piperidin-1-yl]butyl]imidazolidine-2,4-dione;hydrochloride

C14H26ClN3O3 — CID 131719164

IUPAC3-[4-[4-(2-hydroxyethyl)piperidin-1-yl]butyl]imidazolidine-2,4-dione;hydrochloride
SMILESCl.O=C1CNC(=O)N1CCCCN1CCC(CCO)CC1
InChIInChI=1S/C14H25N3O3.ClH/c18-10-5-12-3-8-16(9-4-12)6-1-2-7-17-13(19)11-15-14(17)20;/h12,18H,1-11H2,(H,15,20);1H
InChIKeyIXYQZPGZNWXAFD-UHFFFAOYSA-N
MW319.83 g/mol
LogP0.83
Rot. Bonds7

About 3-[4-[4-(2-hydroxyethyl)piperidin-1-yl]butyl]imidazolidine-2,4-dione;hydrochloride

3-[4-[4-(2-hydroxyethyl)piperidin-1-yl]butyl]imidazolidine-2,4-dione;hydrochloride (PubChem CID 131719164) has the molecular formula C14H26ClN3O3 and a molecular weight of 319.83 g/mol. Its IUPAC name is 3-[4-[4-(2-hydroxyethyl)piperidin-1-yl]butyl]imidazolidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name3-[4-[4-(2-hydroxyethyl)piperidin-1-yl]butyl]imidazolidine-2,4-dione;hydrochloride
PubChem CID131719164
Molecular FormulaC14H26ClN3O3
Molecular Weight319.83 g/mol
Exact Mass319.17
IUPAC Name3-[4-[4-(2-hydroxyethyl)piperidin-1-yl]butyl]imidazolidine-2,4-dione;hydrochloride
SMILESCl.O=C1CNC(=O)N1CCCCN1CCC(CCO)CC1
InChIInChI=1S/C14H25N3O3.ClH/c18-10-5-12-3-8-16(9-4-12)6-1-2-7-17-13(19)11-15-14(17)20;/h12,18H,1-11H2,(H,15,20);1H
InChIKeyIXYQZPGZNWXAFD-UHFFFAOYSA-N
XLogP0.83
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.83
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 60966909
2-[1-[3-[3-[4-(2-hydroxyethyl)piperidin-1-yl]propylsulfanyl]propyl]piperidin-4-yl]ethanol
CID 167423309
3-[4-(4-benzylpiperidin-1-yl)-4-oxobutyl]imidazolidine-2,4-dione
CID 86978734
3-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 81492860
3-[4-(2-hydroxyethyl)piperidin-1-yl]propane-1-sulfonyl chloride
CID 165355086
3-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 62733667
3-[4-[4-(4-methylphenyl)piperazin-1-yl]butyl]imidazolidine-2,4-dione
CID 13320378
1-[3-[4-(13-hydroxytridecyl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one
CID 118719930
3-[2-[(4R)-4-phenylazepan-1-yl]ethyl]imidazolidine-2,4-dione
CID 95176586
2-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]ethanol
CID 139776336
4-(4-octylpiperidin-1-yl)butan-1-ol;hydrochloride
CID 71395097
5-(4-hexylpiperidin-1-yl)pentan-1-ol;hydrochloride
CID 23328916

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(2-hydroxyethyl)piperidin-1-yl]butyl]imidazolidine-2,4-dione;hydrochloride?
The IUPAC name of 3-[4-[4-(2-hydroxyethyl)piperidin-1-yl]butyl]imidazolidine-2,4-dione;hydrochloride (CID 131719164) is 3-[4-[4-(2-hydroxyethyl)piperidin-1-yl]butyl]imidazolidine-2,4-dione;hydrochloride.
What is the SMILES notation for 3-[4-[4-(2-hydroxyethyl)piperidin-1-yl]butyl]imidazolidine-2,4-dione;hydrochloride?
The canonical SMILES for 3-[4-[4-(2-hydroxyethyl)piperidin-1-yl]butyl]imidazolidine-2,4-dione;hydrochloride is Cl.O=C1CNC(=O)N1CCCCN1CCC(CCO)CC1.
What is the InChIKey of 3-[4-[4-(2-hydroxyethyl)piperidin-1-yl]butyl]imidazolidine-2,4-dione;hydrochloride?
The InChIKey is IXYQZPGZNWXAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3.ClH/c18-10-5-12-3-8-16(9-4-12)6-1-2-7-17-13(19)11-15-14(17)20;/h12,18H,1-11H2,(H,15,20);1H.
What are the key properties of 3-[4-[4-(2-hydroxyethyl)piperidin-1-yl]butyl]imidazolidine-2,4-dione;hydrochloride?
3-[4-[4-(2-hydroxyethyl)piperidin-1-yl]butyl]imidazolidine-2,4-dione;hydrochloride has a molecular weight of 319.83 g/mol, XLogP of 0.83, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(2-hydroxyethyl)piperidin-1-yl]butyl]imidazolidine-2,4-dione;hydrochloride is sourced from PubChem (CID 131719164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).