ethyl 2-[4-(cyclopropylmethyl)piperazin-1-yl]acetate

C12H22N2O2 — CID 60965522

IUPACethyl 2-[4-(cyclopropylmethyl)piperazin-1-yl]acetate
SMILESCCOC(=O)CN1CCN(CC2CC2)CC1
InChIInChI=1S/C12H22N2O2/c1-2-16-12(15)10-14-7-5-13(6-8-14)9-11-3-4-11/h11H,2-10H2,1H3
InChIKeyQBHGWOHSMKDKSG-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.58
Rot. Bonds5

About ethyl 2-[4-(cyclopropylmethyl)piperazin-1-yl]acetate

ethyl 2-[4-(cyclopropylmethyl)piperazin-1-yl]acetate (PubChem CID 60965522) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is ethyl 2-[4-(cyclopropylmethyl)piperazin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(cyclopropylmethyl)piperazin-1-yl]acetate
PubChem CID60965522
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Nameethyl 2-[4-(cyclopropylmethyl)piperazin-1-yl]acetate
SMILESCCOC(=O)CN1CCN(CC2CC2)CC1
InChIInChI=1S/C12H22N2O2/c1-2-16-12(15)10-14-7-5-13(6-8-14)9-11-3-4-11/h11H,2-10H2,1H3
InChIKeyQBHGWOHSMKDKSG-UHFFFAOYSA-N
XLogP0.58
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(cyclopropylmethyl)piperazin-1-yl]acetate?
The IUPAC name of ethyl 2-[4-(cyclopropylmethyl)piperazin-1-yl]acetate (CID 60965522) is ethyl 2-[4-(cyclopropylmethyl)piperazin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[4-(cyclopropylmethyl)piperazin-1-yl]acetate?
The canonical SMILES for ethyl 2-[4-(cyclopropylmethyl)piperazin-1-yl]acetate is CCOC(=O)CN1CCN(CC2CC2)CC1.
What is the InChIKey of ethyl 2-[4-(cyclopropylmethyl)piperazin-1-yl]acetate?
The InChIKey is QBHGWOHSMKDKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-2-16-12(15)10-14-7-5-13(6-8-14)9-11-3-4-11/h11H,2-10H2,1H3.
What are the key properties of ethyl 2-[4-(cyclopropylmethyl)piperazin-1-yl]acetate?
ethyl 2-[4-(cyclopropylmethyl)piperazin-1-yl]acetate has a molecular weight of 226.32 g/mol, XLogP of 0.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(cyclopropylmethyl)piperazin-1-yl]acetate is sourced from PubChem (CID 60965522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).