[4-(3-aminopropoxy)piperidin-1-yl]-(5-chloro-2-pyridinyl)methanone;dihydrochloride

C14H22Cl3N3O2 — CID 119663041

IUPAC[4-(3-aminopropoxy)piperidin-1-yl]-(5-chloro-2-pyridinyl)methanone;dihydrochloride
SMILESCl.Cl.NCCCOC1CCN(C(=O)c2ccc(Cl)cn2)CC1
InChIInChI=1S/C14H20ClN3O2.2ClH/c15-11-2-3-13(17-10-11)14(19)18-7-4-12(5-8-18)20-9-1-6-16;;/h2-3,10,12H,1,4-9,16H2;2*1H
InChIKeyAUXLQANFODGRKP-UHFFFAOYSA-N
MW370.71 g/mol
LogP2.55
Rot. Bonds5

About [4-(3-aminopropoxy)piperidin-1-yl]-(5-chloro-2-pyridinyl)methanone;dihydrochloride

[4-(3-aminopropoxy)piperidin-1-yl]-(5-chloro-2-pyridinyl)methanone;dihydrochloride (PubChem CID 119663041) has the molecular formula C14H22Cl3N3O2 and a molecular weight of 370.71 g/mol. Its IUPAC name is [4-(3-aminopropoxy)piperidin-1-yl]-(5-chloro-2-pyridinyl)methanone;dihydrochloride.

Molecular Properties

Compound Name[4-(3-aminopropoxy)piperidin-1-yl]-(5-chloro-2-pyridinyl)methanone;dihydrochloride
PubChem CID119663041
Molecular FormulaC14H22Cl3N3O2
Molecular Weight370.71 g/mol
Exact Mass369.08
IUPAC Name[4-(3-aminopropoxy)piperidin-1-yl]-(5-chloro-2-pyridinyl)methanone;dihydrochloride
SMILESCl.Cl.NCCCOC1CCN(C(=O)c2ccc(Cl)cn2)CC1
InChIInChI=1S/C14H20ClN3O2.2ClH/c15-11-2-3-13(17-10-11)14(19)18-7-4-12(5-8-18)20-9-1-6-16;;/h2-3,10,12H,1,4-9,16H2;2*1H
InChIKeyAUXLQANFODGRKP-UHFFFAOYSA-N
XLogP2.55
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.71
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-(3-aminopropoxy)piperidin-1-yl]-(2-bromo-5-chlorophenyl)methanone;hydrochloride
CID 119664069
[4-(3-aminopropoxy)piperidin-1-yl]-[5-(4-chlorophenyl)-3-pyridinyl]methanone
CID 119663953
[4-(3-aminopropoxy)piperidin-1-yl]-(2-bromo-4-chlorophenyl)methanone
CID 103807747
[4-(3-aminopropoxy)piperidin-1-yl]-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]methanone;hydrochloride
CID 119661902
[4-(3-aminopropoxy)piperidin-1-yl]-(4-phenoxy-2-pyridinyl)methanone;dihydrochloride
CID 119663527
[4-(3-aminopropoxy)piperidin-1-yl]-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methanone
CID 119662666
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(2,4-dichlorophenyl)ethanone;hydrochloride
CID 119661510
[4-(3-aminopropoxy)piperidin-1-yl]-(3-chloro-2-methylphenyl)methanone
CID 107098277
[4-(3-aminopropoxy)piperidin-1-yl]-(3-chloro-5-methylphenyl)methanone
CID 81316588
[4-(3-aminopropoxy)piperidin-1-yl]-(5-bromo-2-chlorophenyl)methanone
CID 79736213
[4-(3-aminopropoxy)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone;hydrochloride
CID 119661567
1-(5-chloropyridine-2-carbonyl)-N'-hydroxypiperidine-4-carboximidamide
CID 77038922

Frequently Asked Questions

What is the IUPAC name of [4-(3-aminopropoxy)piperidin-1-yl]-(5-chloro-2-pyridinyl)methanone;dihydrochloride?
The IUPAC name of [4-(3-aminopropoxy)piperidin-1-yl]-(5-chloro-2-pyridinyl)methanone;dihydrochloride (CID 119663041) is [4-(3-aminopropoxy)piperidin-1-yl]-(5-chloro-2-pyridinyl)methanone;dihydrochloride.
What is the SMILES notation for [4-(3-aminopropoxy)piperidin-1-yl]-(5-chloro-2-pyridinyl)methanone;dihydrochloride?
The canonical SMILES for [4-(3-aminopropoxy)piperidin-1-yl]-(5-chloro-2-pyridinyl)methanone;dihydrochloride is Cl.Cl.NCCCOC1CCN(C(=O)c2ccc(Cl)cn2)CC1.
What is the InChIKey of [4-(3-aminopropoxy)piperidin-1-yl]-(5-chloro-2-pyridinyl)methanone;dihydrochloride?
The InChIKey is AUXLQANFODGRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2.2ClH/c15-11-2-3-13(17-10-11)14(19)18-7-4-12(5-8-18)20-9-1-6-16;;/h2-3,10,12H,1,4-9,16H2;2*1H.
What are the key properties of [4-(3-aminopropoxy)piperidin-1-yl]-(5-chloro-2-pyridinyl)methanone;dihydrochloride?
[4-(3-aminopropoxy)piperidin-1-yl]-(5-chloro-2-pyridinyl)methanone;dihydrochloride has a molecular weight of 370.71 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-aminopropoxy)piperidin-1-yl]-(5-chloro-2-pyridinyl)methanone;dihydrochloride is sourced from PubChem (CID 119663041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).