1-[2-(2-chloroethyl)piperidin-1-yl]phthalazine

C15H18ClN3 — CID 63392510

IUPAC1-[2-(2-chloroethyl)piperidin-1-yl]phthalazine
SMILESClCCC1CCCCN1c1nncc2ccccc12
InChIInChI=1S/C15H18ClN3/c16-9-8-13-6-3-4-10-19(13)15-14-7-2-1-5-12(14)11-17-18-15/h1-2,5,7,11,13H,3-4,6,8-10H2
InChIKeyAWQAMPOVRFEQSV-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.62
Rot. Bonds3

About 1-[2-(2-chloroethyl)piperidin-1-yl]phthalazine

1-[2-(2-chloroethyl)piperidin-1-yl]phthalazine (PubChem CID 63392510) has the molecular formula C15H18ClN3 and a molecular weight of 275.78 g/mol. Its IUPAC name is 1-[2-(2-chloroethyl)piperidin-1-yl]phthalazine.

Molecular Properties

Compound Name1-[2-(2-chloroethyl)piperidin-1-yl]phthalazine
PubChem CID63392510
Molecular FormulaC15H18ClN3
Molecular Weight275.78 g/mol
Exact Mass275.12
IUPAC Name1-[2-(2-chloroethyl)piperidin-1-yl]phthalazine
SMILESClCCC1CCCCN1c1nncc2ccccc12
InChIInChI=1S/C15H18ClN3/c16-9-8-13-6-3-4-10-19(13)15-14-7-2-1-5-12(14)11-17-18-15/h1-2,5,7,11,13H,3-4,6,8-10H2
InChIKeyAWQAMPOVRFEQSV-UHFFFAOYSA-N
XLogP3.62
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(chloromethyl)piperidin-1-yl]phthalazine
CID 63392073
2-[2-(2-chloroethyl)piperidin-1-yl]-3-methylquinoxaline
CID 63392658
1-(4-chloropiperidin-1-yl)phthalazine
CID 63388772
2-[1-(4-methylphthalazin-1-yl)piperidin-2-yl]ethanamine
CID 63767576
2-(1-phthalazin-1-ylpiperidin-4-yl)ethanamine
CID 62587804
1-(4-piperidin-1-ylpiperidin-1-yl)phthalazine
CID 155230081
(1-isoquinolin-1-ylazepan-2-yl)methanamine
CID 116640341
2-(2-chloroethyl)-1-(1-phenyltetrazol-5-yl)piperidine
CID 63392298
(1-phthalazin-1-ylpiperidin-4-yl)methanol;hydrochloride
CID 140971986
[2-(2-chloroethyl)piperidin-1-yl]-(2,3-dihydro-1H-inden-2-yl)methanone
CID 106894184
[1-(2-ethylpiperidin-1-yl)isoquinolin-3-yl]methanol
CID 61254969
2-(1-phthalazin-1-ylpyrrolidin-3-yl)ethanol
CID 114799546

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chloroethyl)piperidin-1-yl]phthalazine?
The IUPAC name of 1-[2-(2-chloroethyl)piperidin-1-yl]phthalazine (CID 63392510) is 1-[2-(2-chloroethyl)piperidin-1-yl]phthalazine.
What is the SMILES notation for 1-[2-(2-chloroethyl)piperidin-1-yl]phthalazine?
The canonical SMILES for 1-[2-(2-chloroethyl)piperidin-1-yl]phthalazine is ClCCC1CCCCN1c1nncc2ccccc12.
What is the InChIKey of 1-[2-(2-chloroethyl)piperidin-1-yl]phthalazine?
The InChIKey is AWQAMPOVRFEQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3/c16-9-8-13-6-3-4-10-19(13)15-14-7-2-1-5-12(14)11-17-18-15/h1-2,5,7,11,13H,3-4,6,8-10H2.
What are the key properties of 1-[2-(2-chloroethyl)piperidin-1-yl]phthalazine?
1-[2-(2-chloroethyl)piperidin-1-yl]phthalazine has a molecular weight of 275.78 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chloroethyl)piperidin-1-yl]phthalazine is sourced from PubChem (CID 63392510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).