[1-(4-aminophenyl)cyclopropyl]-[2-(2-hydroxyethyl)piperidin-1-yl]methanone

C17H24N2O2 — CID 115913231

IUPAC[1-(4-aminophenyl)cyclopropyl]-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
SMILESNc1ccc(C2(C(=O)N3CCCCC3CCO)CC2)cc1
InChIInChI=1S/C17H24N2O2/c18-14-6-4-13(5-7-14)17(9-10-17)16(21)19-11-2-1-3-15(19)8-12-20/h4-7,15,20H,1-3,8-12,18H2
InChIKeyFXTMZJAQDRANTB-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.06
Rot. Bonds4

About [1-(4-aminophenyl)cyclopropyl]-[2-(2-hydroxyethyl)piperidin-1-yl]methanone

[1-(4-aminophenyl)cyclopropyl]-[2-(2-hydroxyethyl)piperidin-1-yl]methanone (PubChem CID 115913231) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is [1-(4-aminophenyl)cyclopropyl]-[2-(2-hydroxyethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(4-aminophenyl)cyclopropyl]-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
PubChem CID115913231
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name[1-(4-aminophenyl)cyclopropyl]-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
SMILESNc1ccc(C2(C(=O)N3CCCCC3CCO)CC2)cc1
InChIInChI=1S/C17H24N2O2/c18-14-6-4-13(5-7-14)17(9-10-17)16(21)19-11-2-1-3-15(19)8-12-20/h4-7,15,20H,1-3,8-12,18H2
InChIKeyFXTMZJAQDRANTB-UHFFFAOYSA-N
XLogP2.06
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-(4-chlorophenyl)cyclopropyl]-[2-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 11695010
(2R)-1-[1-(4-aminophenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid
CID 103930599
[1-(4-chlorophenyl)cyclopropyl]-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116636296
[2-(hydroxymethyl)piperidin-1-yl]-(1-phenylcyclobutyl)methanone
CID 43421113
[2-(methylaminomethyl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 63249167
[2-(2-hydroxyethyl)piperidin-1-yl]-[1-(2-methoxyphenyl)cyclobutyl]methanone
CID 110436785
1-(4-aminophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 82256579
[2-(3-chloropropyl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 63395719
(2-ethylpiperidin-1-yl)-(1-phenylcyclobutyl)methanone
CID 110487740
1-[2-(2-hydroxyethyl)piperidine-1-carbonyl]cyclobutane-1-carbonitrile
CID 80598710
[2-(bromomethyl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 80678065
[2-(2-hydroxyethyl)piperidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 60742117

Frequently Asked Questions

What is the IUPAC name of [1-(4-aminophenyl)cyclopropyl]-[2-(2-hydroxyethyl)piperidin-1-yl]methanone?
The IUPAC name of [1-(4-aminophenyl)cyclopropyl]-[2-(2-hydroxyethyl)piperidin-1-yl]methanone (CID 115913231) is [1-(4-aminophenyl)cyclopropyl]-[2-(2-hydroxyethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [1-(4-aminophenyl)cyclopropyl]-[2-(2-hydroxyethyl)piperidin-1-yl]methanone?
The canonical SMILES for [1-(4-aminophenyl)cyclopropyl]-[2-(2-hydroxyethyl)piperidin-1-yl]methanone is Nc1ccc(C2(C(=O)N3CCCCC3CCO)CC2)cc1.
What is the InChIKey of [1-(4-aminophenyl)cyclopropyl]-[2-(2-hydroxyethyl)piperidin-1-yl]methanone?
The InChIKey is FXTMZJAQDRANTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c18-14-6-4-13(5-7-14)17(9-10-17)16(21)19-11-2-1-3-15(19)8-12-20/h4-7,15,20H,1-3,8-12,18H2.
What are the key properties of [1-(4-aminophenyl)cyclopropyl]-[2-(2-hydroxyethyl)piperidin-1-yl]methanone?
[1-(4-aminophenyl)cyclopropyl]-[2-(2-hydroxyethyl)piperidin-1-yl]methanone has a molecular weight of 288.39 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-aminophenyl)cyclopropyl]-[2-(2-hydroxyethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 115913231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).