4-aminobenzoic acid;4-(dimethylamino)cyclohexan-1-ol;hydrochloride

C15H25ClN2O3 — CID 21146159

IUPAC4-aminobenzoic acid;4-(dimethylamino)cyclohexan-1-ol;hydrochloride
SMILESCN(C)C1CCC(O)CC1.Cl.Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C8H17NO.C7H7NO2.ClH/c1-9(2)7-3-5-8(10)6-4-7;8-6-3-1-5(2-4-6)7(9)10;/h7-8,10H,3-6H2,1-2H3;1-4H,8H2,(H,9,10);1H
InChIKeyZYTHKTDNFIKGTD-UHFFFAOYSA-N
MW316.83 g/mol
LogP2.24
Rot. Bonds2

About 4-aminobenzoic acid;4-(dimethylamino)cyclohexan-1-ol;hydrochloride

4-aminobenzoic acid;4-(dimethylamino)cyclohexan-1-ol;hydrochloride (PubChem CID 21146159) has the molecular formula C15H25ClN2O3 and a molecular weight of 316.83 g/mol. Its IUPAC name is 4-aminobenzoic acid;4-(dimethylamino)cyclohexan-1-ol;hydrochloride.

Molecular Properties

Compound Name4-aminobenzoic acid;4-(dimethylamino)cyclohexan-1-ol;hydrochloride
PubChem CID21146159
Molecular FormulaC15H25ClN2O3
Molecular Weight316.83 g/mol
Exact Mass316.16
IUPAC Name4-aminobenzoic acid;4-(dimethylamino)cyclohexan-1-ol;hydrochloride
SMILESCN(C)C1CCC(O)CC1.Cl.Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C8H17NO.C7H7NO2.ClH/c1-9(2)7-3-5-8(10)6-4-7;8-6-3-1-5(2-4-6)7(9)10;/h7-8,10H,3-6H2,1-2H3;1-4H,8H2,(H,9,10);1H
InChIKeyZYTHKTDNFIKGTD-UHFFFAOYSA-N
XLogP2.24
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-aminobenzoic acid;4-(dimethylamino)cyclohexan-1-ol;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-aminobenzoic acid;4-(dimethylamino)cyclohexan-1-ol;hydrochloride?
The IUPAC name of 4-aminobenzoic acid;4-(dimethylamino)cyclohexan-1-ol;hydrochloride (CID 21146159) is 4-aminobenzoic acid;4-(dimethylamino)cyclohexan-1-ol;hydrochloride.
What is the SMILES notation for 4-aminobenzoic acid;4-(dimethylamino)cyclohexan-1-ol;hydrochloride?
The canonical SMILES for 4-aminobenzoic acid;4-(dimethylamino)cyclohexan-1-ol;hydrochloride is CN(C)C1CCC(O)CC1.Cl.Nc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-aminobenzoic acid;4-(dimethylamino)cyclohexan-1-ol;hydrochloride?
The InChIKey is ZYTHKTDNFIKGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO.C7H7NO2.ClH/c1-9(2)7-3-5-8(10)6-4-7;8-6-3-1-5(2-4-6)7(9)10;/h7-8,10H,3-6H2,1-2H3;1-4H,8H2,(H,9,10);1H.
What are the key properties of 4-aminobenzoic acid;4-(dimethylamino)cyclohexan-1-ol;hydrochloride?
4-aminobenzoic acid;4-(dimethylamino)cyclohexan-1-ol;hydrochloride has a molecular weight of 316.83 g/mol, XLogP of 2.24, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminobenzoic acid;4-(dimethylamino)cyclohexan-1-ol;hydrochloride is sourced from PubChem (CID 21146159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).