ethyl 4-[2-(6-methoxynaphthalen-2-yl)propyl]piperazine-1-carboxylate;hydrochloride

C21H29ClN2O3 — CID 3055307

IUPACethyl 4-[2-(6-methoxynaphthalen-2-yl)propyl]piperazine-1-carboxylate;hydrochloride
SMILESCCOC(=O)N1CCN(CC(C)c2ccc3cc(OC)ccc3c2)CC1.Cl
InChIInChI=1S/C21H28N2O3.ClH/c1-4-26-21(24)23-11-9-22(10-12-23)15-16(2)17-5-6-19-14-20(25-3)8-7-18(19)13-17;/h5-8,13-14,16H,4,9-12,15H2,1-3H3;1H
InChIKeyBPYWXCPLRUHZIU-UHFFFAOYSA-N
MW392.93 g/mol
LogP4.15
Rot. Bonds5

About ethyl 4-[2-(6-methoxynaphthalen-2-yl)propyl]piperazine-1-carboxylate;hydrochloride

ethyl 4-[2-(6-methoxynaphthalen-2-yl)propyl]piperazine-1-carboxylate;hydrochloride (PubChem CID 3055307) has the molecular formula C21H29ClN2O3 and a molecular weight of 392.93 g/mol. Its IUPAC name is ethyl 4-[2-(6-methoxynaphthalen-2-yl)propyl]piperazine-1-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 4-[2-(6-methoxynaphthalen-2-yl)propyl]piperazine-1-carboxylate;hydrochloride
PubChem CID3055307
Molecular FormulaC21H29ClN2O3
Molecular Weight392.93 g/mol
Exact Mass392.19
IUPAC Nameethyl 4-[2-(6-methoxynaphthalen-2-yl)propyl]piperazine-1-carboxylate;hydrochloride
SMILESCCOC(=O)N1CCN(CC(C)c2ccc3cc(OC)ccc3c2)CC1.Cl
InChIInChI=1S/C21H28N2O3.ClH/c1-4-26-21(24)23-11-9-22(10-12-23)15-16(2)17-5-6-19-14-20(25-3)8-7-18(19)13-17;/h5-8,13-14,16H,4,9-12,15H2,1-3H3;1H
InChIKeyBPYWXCPLRUHZIU-UHFFFAOYSA-N
XLogP4.15
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.93
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(6-methoxynaphthalen-2-yl)propyl]piperazine-1-carboxylate;hydrochloride?
The IUPAC name of ethyl 4-[2-(6-methoxynaphthalen-2-yl)propyl]piperazine-1-carboxylate;hydrochloride (CID 3055307) is ethyl 4-[2-(6-methoxynaphthalen-2-yl)propyl]piperazine-1-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 4-[2-(6-methoxynaphthalen-2-yl)propyl]piperazine-1-carboxylate;hydrochloride?
The canonical SMILES for ethyl 4-[2-(6-methoxynaphthalen-2-yl)propyl]piperazine-1-carboxylate;hydrochloride is CCOC(=O)N1CCN(CC(C)c2ccc3cc(OC)ccc3c2)CC1.Cl.
What is the InChIKey of ethyl 4-[2-(6-methoxynaphthalen-2-yl)propyl]piperazine-1-carboxylate;hydrochloride?
The InChIKey is BPYWXCPLRUHZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3.ClH/c1-4-26-21(24)23-11-9-22(10-12-23)15-16(2)17-5-6-19-14-20(25-3)8-7-18(19)13-17;/h5-8,13-14,16H,4,9-12,15H2,1-3H3;1H.
What are the key properties of ethyl 4-[2-(6-methoxynaphthalen-2-yl)propyl]piperazine-1-carboxylate;hydrochloride?
ethyl 4-[2-(6-methoxynaphthalen-2-yl)propyl]piperazine-1-carboxylate;hydrochloride has a molecular weight of 392.93 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(6-methoxynaphthalen-2-yl)propyl]piperazine-1-carboxylate;hydrochloride is sourced from PubChem (CID 3055307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).