ethyl 4-(4-phenylpiperazin-1-yl)piperidine-1-carboxylate;hydrochloride

C18H28ClN3O2 — CID 6456368

IUPACethyl 4-(4-phenylpiperazin-1-yl)piperidine-1-carboxylate;hydrochloride
SMILESCCOC(=O)N1CCC(N2CCN(c3ccccc3)CC2)CC1.Cl
InChIInChI=1S/C18H27N3O2.ClH/c1-2-23-18(22)21-10-8-17(9-11-21)20-14-12-19(13-15-20)16-6-4-3-5-7-16;/h3-7,17H,2,8-15H2,1H3;1H
InChIKeyXJPWJGYJWHXONM-UHFFFAOYSA-N
MW353.89 g/mol
LogP2.85
Rot. Bonds3

About ethyl 4-(4-phenylpiperazin-1-yl)piperidine-1-carboxylate;hydrochloride

ethyl 4-(4-phenylpiperazin-1-yl)piperidine-1-carboxylate;hydrochloride (PubChem CID 6456368) has the molecular formula C18H28ClN3O2 and a molecular weight of 353.89 g/mol. Its IUPAC name is ethyl 4-(4-phenylpiperazin-1-yl)piperidine-1-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 4-(4-phenylpiperazin-1-yl)piperidine-1-carboxylate;hydrochloride
PubChem CID6456368
Molecular FormulaC18H28ClN3O2
Molecular Weight353.89 g/mol
Exact Mass353.19
IUPAC Nameethyl 4-(4-phenylpiperazin-1-yl)piperidine-1-carboxylate;hydrochloride
SMILESCCOC(=O)N1CCC(N2CCN(c3ccccc3)CC2)CC1.Cl
InChIInChI=1S/C18H27N3O2.ClH/c1-2-23-18(22)21-10-8-17(9-11-21)20-14-12-19(13-15-20)16-6-4-3-5-7-16;/h3-7,17H,2,8-15H2,1H3;1H
InChIKeyXJPWJGYJWHXONM-UHFFFAOYSA-N
XLogP2.85
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.89
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-phenylpiperazin-1-yl)piperidine-1-carboxylate;hydrochloride?
The IUPAC name of ethyl 4-(4-phenylpiperazin-1-yl)piperidine-1-carboxylate;hydrochloride (CID 6456368) is ethyl 4-(4-phenylpiperazin-1-yl)piperidine-1-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 4-(4-phenylpiperazin-1-yl)piperidine-1-carboxylate;hydrochloride?
The canonical SMILES for ethyl 4-(4-phenylpiperazin-1-yl)piperidine-1-carboxylate;hydrochloride is CCOC(=O)N1CCC(N2CCN(c3ccccc3)CC2)CC1.Cl.
What is the InChIKey of ethyl 4-(4-phenylpiperazin-1-yl)piperidine-1-carboxylate;hydrochloride?
The InChIKey is XJPWJGYJWHXONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2.ClH/c1-2-23-18(22)21-10-8-17(9-11-21)20-14-12-19(13-15-20)16-6-4-3-5-7-16;/h3-7,17H,2,8-15H2,1H3;1H.
What are the key properties of ethyl 4-(4-phenylpiperazin-1-yl)piperidine-1-carboxylate;hydrochloride?
ethyl 4-(4-phenylpiperazin-1-yl)piperidine-1-carboxylate;hydrochloride has a molecular weight of 353.89 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-phenylpiperazin-1-yl)piperidine-1-carboxylate;hydrochloride is sourced from PubChem (CID 6456368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).