2-chloro-5-[(4-ethoxypiperidin-1-yl)methyl]aniline

C14H21ClN2O — CID 61219359

IUPAC2-chloro-5-[(4-ethoxypiperidin-1-yl)methyl]aniline
SMILESCCOC1CCN(Cc2ccc(Cl)c(N)c2)CC1
InChIInChI=1S/C14H21ClN2O/c1-2-18-12-5-7-17(8-6-12)10-11-3-4-13(15)14(16)9-11/h3-4,9,12H,2,5-8,10,16H2,1H3
InChIKeyHHCRCXQDMXQYEY-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.92
Rot. Bonds4

About 2-chloro-5-[(4-ethoxypiperidin-1-yl)methyl]aniline

2-chloro-5-[(4-ethoxypiperidin-1-yl)methyl]aniline (PubChem CID 61219359) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 2-chloro-5-[(4-ethoxypiperidin-1-yl)methyl]aniline.

Molecular Properties

Compound Name2-chloro-5-[(4-ethoxypiperidin-1-yl)methyl]aniline
PubChem CID61219359
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name2-chloro-5-[(4-ethoxypiperidin-1-yl)methyl]aniline
SMILESCCOC1CCN(Cc2ccc(Cl)c(N)c2)CC1
InChIInChI=1S/C14H21ClN2O/c1-2-18-12-5-7-17(8-6-12)10-11-3-4-13(15)14(16)9-11/h3-4,9,12H,2,5-8,10,16H2,1H3
InChIKeyHHCRCXQDMXQYEY-UHFFFAOYSA-N
XLogP2.92
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[(3-amino-4-chlorophenyl)methyl]piperidin-4-yl]oxyethanol
CID 82696145
1-[(3-amino-4-chlorophenyl)methyl]piperidin-4-ol
CID 43169013
4-ethoxy-1-[(4-iodophenyl)methyl]piperidine
CID 65478371
2-chloro-4-[(4-ethoxypiperidin-1-yl)methyl]pyridine
CID 55069209
1-[(3-amino-4-chlorophenyl)methyl]piperidine-4-carboxamide
CID 43169014
2-chloro-5-[(4-methylcyclohexyl)oxymethyl]aniline
CID 43169048
3,6-dichloro-2-[(4-ethoxypiperidin-1-yl)methyl]pyridine
CID 62892140
2-[(4-ethoxypiperidin-1-yl)methyl]-4-methoxyaniline
CID 115413849
1-[(3,4-dichlorophenyl)methyl]-4-propylpiperidine
CID 144996291
2-bromo-3-[(4-ethoxypiperidin-1-yl)methyl]aniline
CID 114048479
5-[(3-ethoxypiperidin-1-yl)methyl]-2-methoxyaniline
CID 54985085
2-[4-[(4-ethoxypiperidin-1-yl)methyl]phenyl]propanoic acid
CID 105345726

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(4-ethoxypiperidin-1-yl)methyl]aniline?
The IUPAC name of 2-chloro-5-[(4-ethoxypiperidin-1-yl)methyl]aniline (CID 61219359) is 2-chloro-5-[(4-ethoxypiperidin-1-yl)methyl]aniline.
What is the SMILES notation for 2-chloro-5-[(4-ethoxypiperidin-1-yl)methyl]aniline?
The canonical SMILES for 2-chloro-5-[(4-ethoxypiperidin-1-yl)methyl]aniline is CCOC1CCN(Cc2ccc(Cl)c(N)c2)CC1.
What is the InChIKey of 2-chloro-5-[(4-ethoxypiperidin-1-yl)methyl]aniline?
The InChIKey is HHCRCXQDMXQYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-2-18-12-5-7-17(8-6-12)10-11-3-4-13(15)14(16)9-11/h3-4,9,12H,2,5-8,10,16H2,1H3.
What are the key properties of 2-chloro-5-[(4-ethoxypiperidin-1-yl)methyl]aniline?
2-chloro-5-[(4-ethoxypiperidin-1-yl)methyl]aniline has a molecular weight of 268.79 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(4-ethoxypiperidin-1-yl)methyl]aniline is sourced from PubChem (CID 61219359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).