N-[2-(4-cyclohexylpiperazin-1-yl)ethyl]-5-methoxynaphthalen-1-amine

C23H33N3O — CID 51003168

IUPACN-[2-(4-cyclohexylpiperazin-1-yl)ethyl]-5-methoxynaphthalen-1-amine
SMILESCOc1cccc2c(NCCN3CCN(C4CCCCC4)CC3)cccc12
InChIInChI=1S/C23H33N3O/c1-27-23-12-6-9-20-21(23)10-5-11-22(20)24-13-14-25-15-17-26(18-16-25)19-7-3-2-4-8-19/h5-6,9-12,19,24H,2-4,7-8,13-18H2,1H3
InChIKeyVWZXLABWDKMFBY-UHFFFAOYSA-N
MW367.54 g/mol
LogP4.21
Rot. Bonds6

About N-[2-(4-cyclohexylpiperazin-1-yl)ethyl]-5-methoxynaphthalen-1-amine

N-[2-(4-cyclohexylpiperazin-1-yl)ethyl]-5-methoxynaphthalen-1-amine (PubChem CID 51003168) has the molecular formula C23H33N3O and a molecular weight of 367.54 g/mol. Its IUPAC name is N-[2-(4-cyclohexylpiperazin-1-yl)ethyl]-5-methoxynaphthalen-1-amine.

Molecular Properties

Compound NameN-[2-(4-cyclohexylpiperazin-1-yl)ethyl]-5-methoxynaphthalen-1-amine
PubChem CID51003168
Molecular FormulaC23H33N3O
Molecular Weight367.54 g/mol
Exact Mass367.26
IUPAC NameN-[2-(4-cyclohexylpiperazin-1-yl)ethyl]-5-methoxynaphthalen-1-amine
SMILESCOc1cccc2c(NCCN3CCN(C4CCCCC4)CC3)cccc12
InChIInChI=1S/C23H33N3O/c1-27-23-12-6-9-20-21(23)10-5-11-22(20)24-13-14-25-15-17-26(18-16-25)19-7-3-2-4-8-19/h5-6,9-12,19,24H,2-4,7-8,13-18H2,1H3
InChIKeyVWZXLABWDKMFBY-UHFFFAOYSA-N
XLogP4.21
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.54
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-cyclohexylpiperazin-1-yl)ethyl]-5-methoxynaphthalen-1-amine?
The IUPAC name of N-[2-(4-cyclohexylpiperazin-1-yl)ethyl]-5-methoxynaphthalen-1-amine (CID 51003168) is N-[2-(4-cyclohexylpiperazin-1-yl)ethyl]-5-methoxynaphthalen-1-amine.
What is the SMILES notation for N-[2-(4-cyclohexylpiperazin-1-yl)ethyl]-5-methoxynaphthalen-1-amine?
The canonical SMILES for N-[2-(4-cyclohexylpiperazin-1-yl)ethyl]-5-methoxynaphthalen-1-amine is COc1cccc2c(NCCN3CCN(C4CCCCC4)CC3)cccc12.
What is the InChIKey of N-[2-(4-cyclohexylpiperazin-1-yl)ethyl]-5-methoxynaphthalen-1-amine?
The InChIKey is VWZXLABWDKMFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O/c1-27-23-12-6-9-20-21(23)10-5-11-22(20)24-13-14-25-15-17-26(18-16-25)19-7-3-2-4-8-19/h5-6,9-12,19,24H,2-4,7-8,13-18H2,1H3.
What are the key properties of N-[2-(4-cyclohexylpiperazin-1-yl)ethyl]-5-methoxynaphthalen-1-amine?
N-[2-(4-cyclohexylpiperazin-1-yl)ethyl]-5-methoxynaphthalen-1-amine has a molecular weight of 367.54 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-cyclohexylpiperazin-1-yl)ethyl]-5-methoxynaphthalen-1-amine is sourced from PubChem (CID 51003168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).