3-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(Z)-(1-methyl-2-pyridinylidene)amino]propan-1-amine

C19H26ClN5 — CID 118259497

IUPAC3-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(Z)-(1-methyl-2-pyridinylidene)amino]propan-1-amine
SMILESCn1cccc/c1=N/NCCCN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C19H26ClN5/c1-23-10-3-2-8-19(23)22-21-9-5-11-24-12-14-25(15-13-24)18-7-4-6-17(20)16-18/h2-4,6-8,10,16,21H,5,9,11-15H2,1H3/b22-19-
InChIKeyIIAOSEMGMTXMKC-QOCHGBHMSA-N
MW359.91 g/mol
LogP2.30
Rot. Bonds6

About 3-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(Z)-(1-methyl-2-pyridinylidene)amino]propan-1-amine

3-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(Z)-(1-methyl-2-pyridinylidene)amino]propan-1-amine (PubChem CID 118259497) has the molecular formula C19H26ClN5 and a molecular weight of 359.91 g/mol. Its IUPAC name is 3-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(Z)-(1-methyl-2-pyridinylidene)amino]propan-1-amine.

Molecular Properties

Compound Name3-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(Z)-(1-methyl-2-pyridinylidene)amino]propan-1-amine
PubChem CID118259497
Molecular FormulaC19H26ClN5
Molecular Weight359.91 g/mol
Exact Mass359.19
IUPAC Name3-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(Z)-(1-methyl-2-pyridinylidene)amino]propan-1-amine
SMILESCn1cccc/c1=N/NCCCN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C19H26ClN5/c1-23-10-3-2-8-19(23)22-21-9-5-11-24-12-14-25(15-13-24)18-7-4-6-17(20)16-18/h2-4,6-8,10,16,21H,5,9,11-15H2,1H3/b22-19-
InChIKeyIIAOSEMGMTXMKC-QOCHGBHMSA-N
XLogP2.30
TPSA35.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.91
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpentan-1-amine
CID 62424615
1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-propylguanidine
CID 111805444
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-methoxyacetamide
CID 56783071
2-amino-N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-methylpropanamide
CID 119902978
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 133320629
2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-1-phenylguanidine
CID 111108252
1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-(3-ethoxypropyl)-2-methylguanidine;hydroiodide
CID 111763348
(2S)-2-amino-N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]butanamide;trihydrochloride
CID 119902983
2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;methanol
CID 19795514
1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine
CID 111760353
2-[3-[4-(3-chlorophenyl)piperazin-1-yl]-1,1-dideuteriopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride
CID 87655880
2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one chloride
CID 45114117

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(Z)-(1-methyl-2-pyridinylidene)amino]propan-1-amine?
The IUPAC name of 3-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(Z)-(1-methyl-2-pyridinylidene)amino]propan-1-amine (CID 118259497) is 3-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(Z)-(1-methyl-2-pyridinylidene)amino]propan-1-amine.
What is the SMILES notation for 3-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(Z)-(1-methyl-2-pyridinylidene)amino]propan-1-amine?
The canonical SMILES for 3-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(Z)-(1-methyl-2-pyridinylidene)amino]propan-1-amine is Cn1cccc/c1=N/NCCCN1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 3-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(Z)-(1-methyl-2-pyridinylidene)amino]propan-1-amine?
The InChIKey is IIAOSEMGMTXMKC-QOCHGBHMSA-N. The full InChI is InChI=1S/C19H26ClN5/c1-23-10-3-2-8-19(23)22-21-9-5-11-24-12-14-25(15-13-24)18-7-4-6-17(20)16-18/h2-4,6-8,10,16,21H,5,9,11-15H2,1H3/b22-19-.
What are the key properties of 3-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(Z)-(1-methyl-2-pyridinylidene)amino]propan-1-amine?
3-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(Z)-(1-methyl-2-pyridinylidene)amino]propan-1-amine has a molecular weight of 359.91 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(Z)-(1-methyl-2-pyridinylidene)amino]propan-1-amine is sourced from PubChem (CID 118259497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).