ethyl 4-(3-cyclopentyloxy-2-hydroxypropyl)piperazine-1-carboxylate;hydrochloride

C15H29ClN2O4 — CID 16876969

IUPACethyl 4-(3-cyclopentyloxy-2-hydroxypropyl)piperazine-1-carboxylate;hydrochloride
SMILESCCOC(=O)N1CCN(CC(O)COC2CCCC2)CC1.Cl
InChIInChI=1S/C15H28N2O4.ClH/c1-2-20-15(19)17-9-7-16(8-10-17)11-13(18)12-21-14-5-3-4-6-14;/h13-14,18H,2-12H2,1H3;1H
InChIKeyPNTKERPYODSYNX-UHFFFAOYSA-N
MW336.86 g/mol
LogP1.50
Rot. Bonds6

About ethyl 4-(3-cyclopentyloxy-2-hydroxypropyl)piperazine-1-carboxylate;hydrochloride

ethyl 4-(3-cyclopentyloxy-2-hydroxypropyl)piperazine-1-carboxylate;hydrochloride (PubChem CID 16876969) has the molecular formula C15H29ClN2O4 and a molecular weight of 336.86 g/mol. Its IUPAC name is ethyl 4-(3-cyclopentyloxy-2-hydroxypropyl)piperazine-1-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 4-(3-cyclopentyloxy-2-hydroxypropyl)piperazine-1-carboxylate;hydrochloride
PubChem CID16876969
Molecular FormulaC15H29ClN2O4
Molecular Weight336.86 g/mol
Exact Mass336.18
IUPAC Nameethyl 4-(3-cyclopentyloxy-2-hydroxypropyl)piperazine-1-carboxylate;hydrochloride
SMILESCCOC(=O)N1CCN(CC(O)COC2CCCC2)CC1.Cl
InChIInChI=1S/C15H28N2O4.ClH/c1-2-20-15(19)17-9-7-16(8-10-17)11-13(18)12-21-14-5-3-4-6-14;/h13-14,18H,2-12H2,1H3;1H
InChIKeyPNTKERPYODSYNX-UHFFFAOYSA-N
XLogP1.50
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.86
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3-cyclopentyloxy-2-hydroxypropyl)piperazine-1-carboxylate;hydrochloride?
The IUPAC name of ethyl 4-(3-cyclopentyloxy-2-hydroxypropyl)piperazine-1-carboxylate;hydrochloride (CID 16876969) is ethyl 4-(3-cyclopentyloxy-2-hydroxypropyl)piperazine-1-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 4-(3-cyclopentyloxy-2-hydroxypropyl)piperazine-1-carboxylate;hydrochloride?
The canonical SMILES for ethyl 4-(3-cyclopentyloxy-2-hydroxypropyl)piperazine-1-carboxylate;hydrochloride is CCOC(=O)N1CCN(CC(O)COC2CCCC2)CC1.Cl.
What is the InChIKey of ethyl 4-(3-cyclopentyloxy-2-hydroxypropyl)piperazine-1-carboxylate;hydrochloride?
The InChIKey is PNTKERPYODSYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4.ClH/c1-2-20-15(19)17-9-7-16(8-10-17)11-13(18)12-21-14-5-3-4-6-14;/h13-14,18H,2-12H2,1H3;1H.
What are the key properties of ethyl 4-(3-cyclopentyloxy-2-hydroxypropyl)piperazine-1-carboxylate;hydrochloride?
ethyl 4-(3-cyclopentyloxy-2-hydroxypropyl)piperazine-1-carboxylate;hydrochloride has a molecular weight of 336.86 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3-cyclopentyloxy-2-hydroxypropyl)piperazine-1-carboxylate;hydrochloride is sourced from PubChem (CID 16876969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).