(4-hex-2-ynylpiperazin-1-yl)-phenylmethanone

C17H22N2O — CID 4270706

IUPAC(4-hex-2-ynylpiperazin-1-yl)-phenylmethanone
SMILESCCCC#CCN1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C17H22N2O/c1-2-3-4-8-11-18-12-14-19(15-13-18)17(20)16-9-6-5-7-10-16/h5-7,9-10H,2-3,11-15H2,1H3
InChIKeyLZBRYHIRCUWFOT-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.25
Rot. Bonds3

About (4-hex-2-ynylpiperazin-1-yl)-phenylmethanone

(4-hex-2-ynylpiperazin-1-yl)-phenylmethanone (PubChem CID 4270706) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is (4-hex-2-ynylpiperazin-1-yl)-phenylmethanone.

Molecular Properties

Compound Name(4-hex-2-ynylpiperazin-1-yl)-phenylmethanone
PubChem CID4270706
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name(4-hex-2-ynylpiperazin-1-yl)-phenylmethanone
SMILESCCCC#CCN1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C17H22N2O/c1-2-3-4-8-11-18-12-14-19(15-13-18)17(20)16-9-6-5-7-10-16/h5-7,9-10H,2-3,11-15H2,1H3
InChIKeyLZBRYHIRCUWFOT-UHFFFAOYSA-N
XLogP2.25
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-propylpiperazine-1-carbonyl)benzoic acid
CID 43452662
2-(4-benzoylpiperazin-1-yl)-1-phenylethanone
CID 3599210
3-(4-benzoylpiperazin-1-yl)propanoic acid
CID 2050697
ethyl 4-benzoylpiperazine-1-carboxylate
CID 3273572
[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-phenylmethanone
CID 63308450
[4-(2-chloroethyl)-1,4-diazepan-1-yl]-phenylmethanone
CID 63394874
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-phenylmethanone
CID 780102
2-(4-benzoylpiperazin-1-yl)-N-pentylacetamide
CID 8597427
[4-(3-chloropropyl)piperazin-1-yl]-phenylmethanone
CID 53486748
2-(4-benzoylpiperazin-1-yl)-N-pentan-3-ylacetamide
CID 18082973
1-(4-benzoyl-1,4-diazepan-1-yl)ethanone
CID 44603157
[4-[3-(4-benzoylpiperazin-1-yl)-2-hexoxypropyl]piperazin-1-yl]-phenylmethanone
CID 101339170

Frequently Asked Questions

What is the IUPAC name of (4-hex-2-ynylpiperazin-1-yl)-phenylmethanone?
The IUPAC name of (4-hex-2-ynylpiperazin-1-yl)-phenylmethanone (CID 4270706) is (4-hex-2-ynylpiperazin-1-yl)-phenylmethanone.
What is the SMILES notation for (4-hex-2-ynylpiperazin-1-yl)-phenylmethanone?
The canonical SMILES for (4-hex-2-ynylpiperazin-1-yl)-phenylmethanone is CCCC#CCN1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of (4-hex-2-ynylpiperazin-1-yl)-phenylmethanone?
The InChIKey is LZBRYHIRCUWFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-2-3-4-8-11-18-12-14-19(15-13-18)17(20)16-9-6-5-7-10-16/h5-7,9-10H,2-3,11-15H2,1H3.
What are the key properties of (4-hex-2-ynylpiperazin-1-yl)-phenylmethanone?
(4-hex-2-ynylpiperazin-1-yl)-phenylmethanone has a molecular weight of 270.38 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hex-2-ynylpiperazin-1-yl)-phenylmethanone is sourced from PubChem (CID 4270706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).