5-chloro-2-methoxy-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline

C15H23ClN2O — CID 43307747

IUPAC5-chloro-2-methoxy-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline
SMILESCOc1ccc(Cl)cc1NC(C)C1CCN(C)CC1
InChIInChI=1S/C15H23ClN2O/c1-11(12-6-8-18(2)9-7-12)17-14-10-13(16)4-5-15(14)19-3/h4-5,10-12,17H,6-9H2,1-3H3
InChIKeyGFQRLRVHIVNIOL-UHFFFAOYSA-N
MW282.81 g/mol
LogP3.49
Rot. Bonds4

About 5-chloro-2-methoxy-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline

5-chloro-2-methoxy-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline (PubChem CID 43307747) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline
PubChem CID43307747
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name5-chloro-2-methoxy-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline
SMILESCOc1ccc(Cl)cc1NC(C)C1CCN(C)CC1
InChIInChI=1S/C15H23ClN2O/c1-11(12-6-8-18(2)9-7-12)17-14-10-13(16)4-5-15(14)19-3/h4-5,10-12,17H,6-9H2,1-3H3
InChIKeyGFQRLRVHIVNIOL-UHFFFAOYSA-N
XLogP3.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-[1-(1-methylpiperidin-4-yl)ethyl]-5-nitroaniline
CID 43717733
4,5-dimethoxy-2-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline
CID 43716710
N-(5-chloro-2-methoxyphenyl)-1-methylpiperidine-4-carboxamide
CID 95968068
N-[1-(1-ethylpiperidin-4-yl)ethyl]-2-methoxy-5-methylaniline
CID 43307758
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-5-chloro-2-methoxyaniline
CID 43760993
5-chloro-2-methoxy-N-(5-methylhexan-2-yl)aniline
CID 43100580
4-chloro-N-(1-cyclopropylethyl)-2-methoxy-5-methylaniline
CID 43191804
2-methoxy-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline
CID 43307485
N-(5-chloro-2-methoxyphenyl)-4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147444
N-[1-(1-ethylpiperidin-4-yl)ethyl]-2-methoxyaniline
CID 43307486
N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-(1-methylpiperidin-4-yl)ethanamine
CID 43685208
4-chloro-2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline
CID 43308115

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline?
The IUPAC name of 5-chloro-2-methoxy-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline (CID 43307747) is 5-chloro-2-methoxy-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline.
What is the SMILES notation for 5-chloro-2-methoxy-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline?
The canonical SMILES for 5-chloro-2-methoxy-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline is COc1ccc(Cl)cc1NC(C)C1CCN(C)CC1.
What is the InChIKey of 5-chloro-2-methoxy-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline?
The InChIKey is GFQRLRVHIVNIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-11(12-6-8-18(2)9-7-12)17-14-10-13(16)4-5-15(14)19-3/h4-5,10-12,17H,6-9H2,1-3H3.
What are the key properties of 5-chloro-2-methoxy-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline?
5-chloro-2-methoxy-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline has a molecular weight of 282.81 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline is sourced from PubChem (CID 43307747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).