(3-amino-4-chlorophenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone

C14H19ClN2O3 — CID 82696199

IUPAC(3-amino-4-chlorophenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
SMILESNc1cc(C(=O)N2CCC(OCCO)CC2)ccc1Cl
InChIInChI=1S/C14H19ClN2O3/c15-12-2-1-10(9-13(12)16)14(19)17-5-3-11(4-6-17)20-8-7-18/h1-2,9,11,18H,3-8,16H2
InChIKeyRTAOGKDEVFPCTH-UHFFFAOYSA-N
MW298.77 g/mol
LogP1.54
Rot. Bonds4

About (3-amino-4-chlorophenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone

(3-amino-4-chlorophenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone (PubChem CID 82696199) has the molecular formula C14H19ClN2O3 and a molecular weight of 298.77 g/mol. Its IUPAC name is (3-amino-4-chlorophenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-amino-4-chlorophenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
PubChem CID82696199
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC Name(3-amino-4-chlorophenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
SMILESNc1cc(C(=O)N2CCC(OCCO)CC2)ccc1Cl
InChIInChI=1S/C14H19ClN2O3/c15-12-2-1-10(9-13(12)16)14(19)17-5-3-11(4-6-17)20-8-7-18/h1-2,9,11,18H,3-8,16H2
InChIKeyRTAOGKDEVFPCTH-UHFFFAOYSA-N
XLogP1.54
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 51.54
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

(3-amino-4-chlorophenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 43133119
(3-amino-4-chlorophenyl)-(4-ethylpiperidin-1-yl)methanone
CID 54905693
2-[1-[(3-amino-4-chlorophenyl)methyl]piperidin-4-yl]oxyethanol
CID 82696145
[2-(aminomethyl)-4-pyridinyl]-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 82696757
(5-amino-2,3-dichlorophenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 107185687
methyl 1-(3-amino-4-chlorobenzoyl)piperidine-4-carboxylate
CID 61042064
[4-(2-hydroxyethoxy)piperidin-1-yl]-(3-sulfanylphenyl)methanone
CID 107033605
(3-bromo-5-chlorophenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 103899120
(2-amino-5-hydroxyphenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 107075819
[4-(2-hydroxyethoxy)piperidin-1-yl]-(1H-indazol-6-yl)methanone
CID 82015840
(5-chloro-2-hydrazinylphenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 82685064
(3-amino-4-chlorophenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 60963176

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-chlorophenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone?
The IUPAC name of (3-amino-4-chlorophenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone (CID 82696199) is (3-amino-4-chlorophenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone.
What is the SMILES notation for (3-amino-4-chlorophenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone?
The canonical SMILES for (3-amino-4-chlorophenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone is Nc1cc(C(=O)N2CCC(OCCO)CC2)ccc1Cl.
What is the InChIKey of (3-amino-4-chlorophenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone?
The InChIKey is RTAOGKDEVFPCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3/c15-12-2-1-10(9-13(12)16)14(19)17-5-3-11(4-6-17)20-8-7-18/h1-2,9,11,18H,3-8,16H2.
What are the key properties of (3-amino-4-chlorophenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone?
(3-amino-4-chlorophenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone has a molecular weight of 298.77 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-chlorophenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 82696199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).