(4-aminophenyl)-[4-hydroxy-4-(pyridin-2-ylmethyl)piperidin-1-yl]methanone

C18H21N3O2 — CID 144699588

IUPAC(4-aminophenyl)-[4-hydroxy-4-(pyridin-2-ylmethyl)piperidin-1-yl]methanone
SMILESNc1ccc(C(=O)N2CCC(O)(Cc3ccccn3)CC2)cc1
InChIInChI=1S/C18H21N3O2/c19-15-6-4-14(5-7-15)17(22)21-11-8-18(23,9-12-21)13-16-3-1-2-10-20-16/h1-7,10,23H,8-9,11-13,19H2
InChIKeyRFRCVLCLFCGCHC-UHFFFAOYSA-N
MW311.38 g/mol
LogP1.87
Rot. Bonds3

About (4-aminophenyl)-[4-hydroxy-4-(pyridin-2-ylmethyl)piperidin-1-yl]methanone

(4-aminophenyl)-[4-hydroxy-4-(pyridin-2-ylmethyl)piperidin-1-yl]methanone (PubChem CID 144699588) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is (4-aminophenyl)-[4-hydroxy-4-(pyridin-2-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-aminophenyl)-[4-hydroxy-4-(pyridin-2-ylmethyl)piperidin-1-yl]methanone
PubChem CID144699588
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name(4-aminophenyl)-[4-hydroxy-4-(pyridin-2-ylmethyl)piperidin-1-yl]methanone
SMILESNc1ccc(C(=O)N2CCC(O)(Cc3ccccn3)CC2)cc1
InChIInChI=1S/C18H21N3O2/c19-15-6-4-14(5-7-15)17(22)21-11-8-18(23,9-12-21)13-16-3-1-2-10-20-16/h1-7,10,23H,8-9,11-13,19H2
InChIKeyRFRCVLCLFCGCHC-UHFFFAOYSA-N
XLogP1.87
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-hydroxy-4-(pyridin-2-ylmethyl)piperidin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 126830095
1-(pyridin-2-ylmethyl)cyclobutan-1-ol
CID 79081302
[4-hydroxy-4-(pyridin-2-ylmethyl)piperidin-1-yl]-(1-methyl-4-pyridin-4-ylpyrazol-5-yl)methanone
CID 89491845
phenyl-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone
CID 2090123
[4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 35901272
[4-hydroxy-4-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-[4-(2H-quinolin-1-yl)phenyl]methanone
CID 141414922
oxalic acid;(4-phenylphenyl)-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 17365950
[4-hydroxy-4-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-[4-(2-quinolin-8-yloxyhydrazinyl)phenyl]methanone
CID 144700092
(4-aminophenyl)-(4,4-dimethylazepan-1-yl)methanone
CID 65283849
4-(4-ethyl-4-hydroxypiperidine-1-carbonyl)benzamide
CID 119138253
8-(4-aminobenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 60963106
ethyl 4-[4-(pyridin-2-ylmethylcarbamoyl)benzoyl]piperazine-1-carboxylate
CID 109047539

Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl)-[4-hydroxy-4-(pyridin-2-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of (4-aminophenyl)-[4-hydroxy-4-(pyridin-2-ylmethyl)piperidin-1-yl]methanone (CID 144699588) is (4-aminophenyl)-[4-hydroxy-4-(pyridin-2-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-aminophenyl)-[4-hydroxy-4-(pyridin-2-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for (4-aminophenyl)-[4-hydroxy-4-(pyridin-2-ylmethyl)piperidin-1-yl]methanone is Nc1ccc(C(=O)N2CCC(O)(Cc3ccccn3)CC2)cc1.
What is the InChIKey of (4-aminophenyl)-[4-hydroxy-4-(pyridin-2-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is RFRCVLCLFCGCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c19-15-6-4-14(5-7-15)17(22)21-11-8-18(23,9-12-21)13-16-3-1-2-10-20-16/h1-7,10,23H,8-9,11-13,19H2.
What are the key properties of (4-aminophenyl)-[4-hydroxy-4-(pyridin-2-ylmethyl)piperidin-1-yl]methanone?
(4-aminophenyl)-[4-hydroxy-4-(pyridin-2-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 311.38 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl)-[4-hydroxy-4-(pyridin-2-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 144699588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).