4-[4-(3-morpholin-4-ylpropoxy)phenyl]oxane-4-carboxylic acid;hydrochloride

C19H28ClNO5 — CID 68577604

IUPAC4-[4-(3-morpholin-4-ylpropoxy)phenyl]oxane-4-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1(c2ccc(OCCCN3CCOCC3)cc2)CCOCC1
InChIInChI=1S/C19H27NO5.ClH/c21-18(22)19(6-12-23-13-7-19)16-2-4-17(5-3-16)25-11-1-8-20-9-14-24-15-10-20;/h2-5H,1,6-15H2,(H,21,22);1H
InChIKeyLNIAVVKYPZHDQX-UHFFFAOYSA-N
MW385.89 g/mol
LogP2.34
Rot. Bonds7

About 4-[4-(3-morpholin-4-ylpropoxy)phenyl]oxane-4-carboxylic acid;hydrochloride

4-[4-(3-morpholin-4-ylpropoxy)phenyl]oxane-4-carboxylic acid;hydrochloride (PubChem CID 68577604) has the molecular formula C19H28ClNO5 and a molecular weight of 385.89 g/mol. Its IUPAC name is 4-[4-(3-morpholin-4-ylpropoxy)phenyl]oxane-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4-[4-(3-morpholin-4-ylpropoxy)phenyl]oxane-4-carboxylic acid;hydrochloride
PubChem CID68577604
Molecular FormulaC19H28ClNO5
Molecular Weight385.89 g/mol
Exact Mass385.17
IUPAC Name4-[4-(3-morpholin-4-ylpropoxy)phenyl]oxane-4-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1(c2ccc(OCCCN3CCOCC3)cc2)CCOCC1
InChIInChI=1S/C19H27NO5.ClH/c21-18(22)19(6-12-23-13-7-19)16-2-4-17(5-3-16)25-11-1-8-20-9-14-24-15-10-20;/h2-5H,1,6-15H2,(H,21,22);1H
InChIKeyLNIAVVKYPZHDQX-UHFFFAOYSA-N
XLogP2.34
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.89
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[4-(3-morpholin-4-ylpropoxy)phenyl]oxane-4-carboxylic acid;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

guanidine;4-[4-[3-(1,4-oxazepan-4-yl)propoxy]phenyl]oxane-4-carboxylic acid
CID 68578687
N,N-dimethyl-4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxane-4-carboxamide
CID 68575652
4-phenyl-N-[4-(3-piperidin-1-ylpropoxy)phenyl]oxane-4-carboxamide
CID 100679278
N-cyclopentyl-4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxane-4-carboxamide
CID 68577879
azane;(2,2-dimethylazetidin-1-yl)-[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]methanone
CID 68579025
2-[4-(3-morpholin-4-ylpropoxy)phenyl]acetic acid
CID 22241707
4-[3-(4-bromophenoxy)propyl]morpholine;oxalic acid
CID 2843796
N-(dimethylaminomethylidene)-4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxane-4-carboxamide
CID 68578480
1-(4-fluorophenyl)-N-[4-(3-morpholin-4-ylpropoxy)phenyl]cyclopentane-1-carboxamide
CID 100664752
4-[[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]methyl]morpholine
CID 11545550
1-[4-(2-morpholin-4-ylethyl)phenyl]cyclopropane-1-carboxylic acid
CID 117440559
4-[3-(4-methoxyphenoxy)propyl]morpholine
CID 2053845

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-morpholin-4-ylpropoxy)phenyl]oxane-4-carboxylic acid;hydrochloride?
The IUPAC name of 4-[4-(3-morpholin-4-ylpropoxy)phenyl]oxane-4-carboxylic acid;hydrochloride (CID 68577604) is 4-[4-(3-morpholin-4-ylpropoxy)phenyl]oxane-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 4-[4-(3-morpholin-4-ylpropoxy)phenyl]oxane-4-carboxylic acid;hydrochloride?
The canonical SMILES for 4-[4-(3-morpholin-4-ylpropoxy)phenyl]oxane-4-carboxylic acid;hydrochloride is Cl.O=C(O)C1(c2ccc(OCCCN3CCOCC3)cc2)CCOCC1.
What is the InChIKey of 4-[4-(3-morpholin-4-ylpropoxy)phenyl]oxane-4-carboxylic acid;hydrochloride?
The InChIKey is LNIAVVKYPZHDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO5.ClH/c21-18(22)19(6-12-23-13-7-19)16-2-4-17(5-3-16)25-11-1-8-20-9-14-24-15-10-20;/h2-5H,1,6-15H2,(H,21,22);1H.
What are the key properties of 4-[4-(3-morpholin-4-ylpropoxy)phenyl]oxane-4-carboxylic acid;hydrochloride?
4-[4-(3-morpholin-4-ylpropoxy)phenyl]oxane-4-carboxylic acid;hydrochloride has a molecular weight of 385.89 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-morpholin-4-ylpropoxy)phenyl]oxane-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 68577604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).