2-[1-(1-methylpiperidin-4-yl)piperazin-2-yl]ethanol

C12H25N3O — CID 56887861

IUPAC2-[1-(1-methylpiperidin-4-yl)piperazin-2-yl]ethanol
SMILESCN1CCC(N2CCNCC2CCO)CC1
InChIInChI=1S/C12H25N3O/c1-14-6-2-11(3-7-14)15-8-5-13-10-12(15)4-9-16/h11-13,16H,2-10H2,1H3
InChIKeySIAMYMKFUORNLW-UHFFFAOYSA-N
MW227.35 g/mol
LogP-0.26
Rot. Bonds3

About 2-[1-(1-methylpiperidin-4-yl)piperazin-2-yl]ethanol

2-[1-(1-methylpiperidin-4-yl)piperazin-2-yl]ethanol (PubChem CID 56887861) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-[1-(1-methylpiperidin-4-yl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-(1-methylpiperidin-4-yl)piperazin-2-yl]ethanol
PubChem CID56887861
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name2-[1-(1-methylpiperidin-4-yl)piperazin-2-yl]ethanol
SMILESCN1CCC(N2CCNCC2CCO)CC1
InChIInChI=1S/C12H25N3O/c1-14-6-2-11(3-7-14)15-8-5-13-10-12(15)4-9-16/h11-13,16H,2-10H2,1H3
InChIKeySIAMYMKFUORNLW-UHFFFAOYSA-N
XLogP-0.26
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-methylpiperidin-4-yl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[1-(1-methylpiperidin-4-yl)piperazin-2-yl]ethanol (CID 56887861) is 2-[1-(1-methylpiperidin-4-yl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[1-(1-methylpiperidin-4-yl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[1-(1-methylpiperidin-4-yl)piperazin-2-yl]ethanol is CN1CCC(N2CCNCC2CCO)CC1.
What is the InChIKey of 2-[1-(1-methylpiperidin-4-yl)piperazin-2-yl]ethanol?
The InChIKey is SIAMYMKFUORNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-14-6-2-11(3-7-14)15-8-5-13-10-12(15)4-9-16/h11-13,16H,2-10H2,1H3.
What are the key properties of 2-[1-(1-methylpiperidin-4-yl)piperazin-2-yl]ethanol?
2-[1-(1-methylpiperidin-4-yl)piperazin-2-yl]ethanol has a molecular weight of 227.35 g/mol, XLogP of -0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-methylpiperidin-4-yl)piperazin-2-yl]ethanol is sourced from PubChem (CID 56887861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).