2-[(3S)-3-methylpiperazin-1-yl]ethyl formate

C8H16N2O2 — CID 174476285

IUPAC2-[(3S)-3-methylpiperazin-1-yl]ethyl formate
SMILESC[C@H]1CN(CCOC=O)CCN1
InChIInChI=1S/C8H16N2O2/c1-8-6-10(3-2-9-8)4-5-12-7-11/h7-9H,2-6H2,1H3/t8-/m0/s1
InChIKeyARNPFZHIVXAMPS-QMMMGPOBSA-N
MW172.23 g/mol
LogP-0.55
Rot. Bonds4

About 2-[(3S)-3-methylpiperazin-1-yl]ethyl formate

2-[(3S)-3-methylpiperazin-1-yl]ethyl formate (PubChem CID 174476285) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 2-[(3S)-3-methylpiperazin-1-yl]ethyl formate.

Molecular Properties

Compound Name2-[(3S)-3-methylpiperazin-1-yl]ethyl formate
PubChem CID174476285
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name2-[(3S)-3-methylpiperazin-1-yl]ethyl formate
SMILESC[C@H]1CN(CCOC=O)CCN1
InChIInChI=1S/C8H16N2O2/c1-8-6-10(3-2-9-8)4-5-12-7-11/h7-9H,2-6H2,1H3/t8-/m0/s1
InChIKeyARNPFZHIVXAMPS-QMMMGPOBSA-N
XLogP-0.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine
CID 104976707
tert-butyl formate;3-[(3S)-3-methylpiperazin-1-yl]propan-1-amine
CID 161168069
1-[2-(3-methoxypropoxy)ethyl]-3-methylpiperazine
CID 103181598
3-methyl-1-(2-pyrrolidin-1-ylethyl)piperazine
CID 65448835
3-methyl-1-(2-methylsulfonylethyl)piperazine
CID 64833986
(3S)-3-methyl-1-[2-(4-propoxyphenoxy)ethyl]piperazine
CID 104977061
1-[2-(2,5-dihydropyrrol-1-yl)ethyl]-3-methylpiperazine
CID 131010612
1-[2-(4-ethoxyphenoxy)ethyl]-3-methylpiperazine
CID 65448827
1-[3-(2-methoxyethoxy)propyl]-3-methylpiperazine
CID 103411083
(3S)-1-[2-(4-bromophenoxy)ethyl]-3-methylpiperazine
CID 104977117
(3R)-1-[2-(4-chlorophenoxy)ethyl]-3-methylpiperazine
CID 96925924
(3R)-3-methyl-1-(3,3,3-trifluoropropyl)piperazine
CID 104975435

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-methylpiperazin-1-yl]ethyl formate?
The IUPAC name of 2-[(3S)-3-methylpiperazin-1-yl]ethyl formate (CID 174476285) is 2-[(3S)-3-methylpiperazin-1-yl]ethyl formate.
What is the SMILES notation for 2-[(3S)-3-methylpiperazin-1-yl]ethyl formate?
The canonical SMILES for 2-[(3S)-3-methylpiperazin-1-yl]ethyl formate is C[C@H]1CN(CCOC=O)CCN1.
What is the InChIKey of 2-[(3S)-3-methylpiperazin-1-yl]ethyl formate?
The InChIKey is ARNPFZHIVXAMPS-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-8-6-10(3-2-9-8)4-5-12-7-11/h7-9H,2-6H2,1H3/t8-/m0/s1.
What are the key properties of 2-[(3S)-3-methylpiperazin-1-yl]ethyl formate?
2-[(3S)-3-methylpiperazin-1-yl]ethyl formate has a molecular weight of 172.23 g/mol, XLogP of -0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-methylpiperazin-1-yl]ethyl formate is sourced from PubChem (CID 174476285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).