1-(2,3-dichlorophenyl)-4-(4-piperidin-4-yloxybutyl)piperazine

C19H29Cl2N3O — CID 146025635

IUPAC1-(2,3-dichlorophenyl)-4-(4-piperidin-4-yloxybutyl)piperazine
SMILESClc1cccc(N2CCN(CCCCOC3CCNCC3)CC2)c1Cl
InChIInChI=1S/C19H29Cl2N3O/c20-17-4-3-5-18(19(17)21)24-13-11-23(12-14-24)10-1-2-15-25-16-6-8-22-9-7-16/h3-5,16,22H,1-2,6-15H2
InChIKeyRXXAWBPCGRBWKM-UHFFFAOYSA-N
MW386.37 g/mol
LogP3.66
Rot. Bonds7

About 1-(2,3-dichlorophenyl)-4-(4-piperidin-4-yloxybutyl)piperazine

1-(2,3-dichlorophenyl)-4-(4-piperidin-4-yloxybutyl)piperazine (PubChem CID 146025635) has the molecular formula C19H29Cl2N3O and a molecular weight of 386.37 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-4-(4-piperidin-4-yloxybutyl)piperazine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-4-(4-piperidin-4-yloxybutyl)piperazine
PubChem CID146025635
Molecular FormulaC19H29Cl2N3O
Molecular Weight386.37 g/mol
Exact Mass385.17
IUPAC Name1-(2,3-dichlorophenyl)-4-(4-piperidin-4-yloxybutyl)piperazine
SMILESClc1cccc(N2CCN(CCCCOC3CCNCC3)CC2)c1Cl
InChIInChI=1S/C19H29Cl2N3O/c20-17-4-3-5-18(19(17)21)24-13-11-23(12-14-24)10-1-2-15-25-16-6-8-22-9-7-16/h3-5,16,22H,1-2,6-15H2
InChIKeyRXXAWBPCGRBWKM-UHFFFAOYSA-N
XLogP3.66
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.37
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(2,3-dichlorophenyl)-4-(4-piperidin-4-yloxybutyl)piperazine 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

1-(2,3-dichlorophenyl)-4-(2-piperidin-4-ylethyl)piperazine
CID 68811205
1-(2,3-dichlorophenyl)-4-hexylpiperazine
CID 155107965
1-butyl-4-(2,3-dichlorophenyl)piperazine
CID 58358826
2-[[4-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]phenyl]methyl]morpholine
CID 174683503
8-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]quinoline
CID 50943740
7-[5-[4-(2,3-dichlorophenyl)piperazin-1-yl]pentoxy]-3,4-dihydro-1H-quinolin-2-one
CID 171647773
7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-1H-1,6-naphthyridin-2-one
CID 21073533
5-(4-bromobutoxy)-1,3-benzothiazole;1-(2,3-dichlorophenyl)piperazine;5-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-1,3-benzothiazole;hydrochloride
CID 159737186
6-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]isoindol-1-one
CID 69164528
7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-4-hydroxy-3,3-dimethyl-1,4-dihydro-1,8-naphthyridin-2-one
CID 21073544
8-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-1,3,4,5-tetrahydro-1,3-benzodiazepin-2-one
CID 11951410
1,3,3,4,4,5,6,8-octadeuterio-7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]quinolin-2-one
CID 25144832

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-4-(4-piperidin-4-yloxybutyl)piperazine?
The IUPAC name of 1-(2,3-dichlorophenyl)-4-(4-piperidin-4-yloxybutyl)piperazine (CID 146025635) is 1-(2,3-dichlorophenyl)-4-(4-piperidin-4-yloxybutyl)piperazine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-4-(4-piperidin-4-yloxybutyl)piperazine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-4-(4-piperidin-4-yloxybutyl)piperazine is Clc1cccc(N2CCN(CCCCOC3CCNCC3)CC2)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-4-(4-piperidin-4-yloxybutyl)piperazine?
The InChIKey is RXXAWBPCGRBWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29Cl2N3O/c20-17-4-3-5-18(19(17)21)24-13-11-23(12-14-24)10-1-2-15-25-16-6-8-22-9-7-16/h3-5,16,22H,1-2,6-15H2.
What are the key properties of 1-(2,3-dichlorophenyl)-4-(4-piperidin-4-yloxybutyl)piperazine?
1-(2,3-dichlorophenyl)-4-(4-piperidin-4-yloxybutyl)piperazine has a molecular weight of 386.37 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-4-(4-piperidin-4-yloxybutyl)piperazine is sourced from PubChem (CID 146025635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).