[4-(4-hydroxyphenyl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone

C16H19N3O2 — CID 112763018

IUPAC[4-(4-hydroxyphenyl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone
SMILESCn1cccc1C(=O)N1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C16H19N3O2/c1-17-8-2-3-15(17)16(21)19-11-9-18(10-12-19)13-4-6-14(20)7-5-13/h2-8,20H,9-12H2,1H3
InChIKeyLLMIPUSDPKMJLB-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.69
Rot. Bonds2

About [4-(4-hydroxyphenyl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone

[4-(4-hydroxyphenyl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone (PubChem CID 112763018) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is [4-(4-hydroxyphenyl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone.

Molecular Properties

Compound Name[4-(4-hydroxyphenyl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone
PubChem CID112763018
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name[4-(4-hydroxyphenyl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone
SMILESCn1cccc1C(=O)N1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C16H19N3O2/c1-17-8-2-3-15(17)16(21)19-11-9-18(10-12-19)13-4-6-14(20)7-5-13/h2-8,20H,9-12H2,1H3
InChIKeyLLMIPUSDPKMJLB-UHFFFAOYSA-N
XLogP1.69
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-methylpyrrol-2-yl)-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone
CID 3234689
(1,1-dioxo-1,4-thiazinan-4-yl)-(1-methylpyrrol-2-yl)methanone
CID 146123880
[4-(4-hydroxyphenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 78777425
[4-(4-hydroxyphenyl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 8779428
[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 134062270
[4-(difluoromethylidene)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 126829415
(1-methylpyrrol-2-yl)-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methanone
CID 71977597
[4-(4-hydroxyphenyl)piperazin-1-yl]-(4-iodophenyl)methanone
CID 2451417
[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 1-methylpyrrole-2-carboxylate
CID 2526458
[4-(fluoromethyl)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 126791630
[4-(4-hydroxyphenyl)piperazin-1-yl]-naphthalen-2-ylmethanone
CID 2120761
(1-methylpyrrol-2-yl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone
CID 110467043

Frequently Asked Questions

What is the IUPAC name of [4-(4-hydroxyphenyl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone?
The IUPAC name of [4-(4-hydroxyphenyl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone (CID 112763018) is [4-(4-hydroxyphenyl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone.
What is the SMILES notation for [4-(4-hydroxyphenyl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone?
The canonical SMILES for [4-(4-hydroxyphenyl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone is Cn1cccc1C(=O)N1CCN(c2ccc(O)cc2)CC1.
What is the InChIKey of [4-(4-hydroxyphenyl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone?
The InChIKey is LLMIPUSDPKMJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-17-8-2-3-15(17)16(21)19-11-9-18(10-12-19)13-4-6-14(20)7-5-13/h2-8,20H,9-12H2,1H3.
What are the key properties of [4-(4-hydroxyphenyl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone?
[4-(4-hydroxyphenyl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone has a molecular weight of 285.35 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-hydroxyphenyl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone is sourced from PubChem (CID 112763018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).