(2S)-2-methyl-1,4-bis[(5-methylfuran-2-yl)methyl]piperazine

C17H24N2O2 — CID 3246663

IUPAC(2S)-2-methyl-1,4-bis[(5-methylfuran-2-yl)methyl]piperazine
SMILESCc1ccc(CN2CCN(Cc3ccc(C)o3)[C@@H](C)C2)o1
InChIInChI=1S/C17H24N2O2/c1-13-10-18(11-16-6-4-14(2)20-16)8-9-19(13)12-17-7-5-15(3)21-17/h4-7,13H,8-12H2,1-3H3/t13-/m0/s1
InChIKeyUGHIIVPRFLCBLZ-ZDUSSCGKSA-N
MW288.39 g/mol
LogP3.20
Rot. Bonds4

About (2S)-2-methyl-1,4-bis[(5-methylfuran-2-yl)methyl]piperazine

(2S)-2-methyl-1,4-bis[(5-methylfuran-2-yl)methyl]piperazine (PubChem CID 3246663) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is (2S)-2-methyl-1,4-bis[(5-methylfuran-2-yl)methyl]piperazine.

Molecular Properties

Compound Name(2S)-2-methyl-1,4-bis[(5-methylfuran-2-yl)methyl]piperazine
PubChem CID3246663
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name(2S)-2-methyl-1,4-bis[(5-methylfuran-2-yl)methyl]piperazine
SMILESCc1ccc(CN2CCN(Cc3ccc(C)o3)[C@@H](C)C2)o1
InChIInChI=1S/C17H24N2O2/c1-13-10-18(11-16-6-4-14(2)20-16)8-9-19(13)12-17-7-5-15(3)21-17/h4-7,13H,8-12H2,1-3H3/t13-/m0/s1
InChIKeyUGHIIVPRFLCBLZ-ZDUSSCGKSA-N
XLogP3.20
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-[(5-methylfuran-2-yl)methyl]pyrrolidine
CID 130718603
3-methyl-2-[(5-methylfuran-2-yl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79926014
N-methyl-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-3-amine
CID 62524559
(3R,7R,8aS)-3-methyl-2-[(5-methylfuran-2-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
CID 95857033
2-[4-[(5-methylfuran-2-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol
CID 45231803
1-[(5-methylfuran-2-yl)methyl]piperidin-3-ol
CID 62022683
2-[(5-methylfuran-2-yl)methyl]-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine
CID 79925763
3-ethyl-1-[(5-methylfuran-2-yl)methyl]piperazine
CID 64952375
2-[1-cyclohexyl-4-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol
CID 45187220
1-[(5-methylfuran-2-yl)methyl]-N-propylpyrrolidin-3-amine
CID 62524561
3-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]propan-1-amine
CID 54855936
2-ethyl-1-[(5-methylfuran-2-yl)methyl]-4-(2-pyrazol-1-ylethyl)piperazine
CID 166404355

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-1,4-bis[(5-methylfuran-2-yl)methyl]piperazine?
The IUPAC name of (2S)-2-methyl-1,4-bis[(5-methylfuran-2-yl)methyl]piperazine (CID 3246663) is (2S)-2-methyl-1,4-bis[(5-methylfuran-2-yl)methyl]piperazine.
What is the SMILES notation for (2S)-2-methyl-1,4-bis[(5-methylfuran-2-yl)methyl]piperazine?
The canonical SMILES for (2S)-2-methyl-1,4-bis[(5-methylfuran-2-yl)methyl]piperazine is Cc1ccc(CN2CCN(Cc3ccc(C)o3)[C@@H](C)C2)o1.
What is the InChIKey of (2S)-2-methyl-1,4-bis[(5-methylfuran-2-yl)methyl]piperazine?
The InChIKey is UGHIIVPRFLCBLZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-13-10-18(11-16-6-4-14(2)20-16)8-9-19(13)12-17-7-5-15(3)21-17/h4-7,13H,8-12H2,1-3H3/t13-/m0/s1.
What are the key properties of (2S)-2-methyl-1,4-bis[(5-methylfuran-2-yl)methyl]piperazine?
(2S)-2-methyl-1,4-bis[(5-methylfuran-2-yl)methyl]piperazine has a molecular weight of 288.39 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-1,4-bis[(5-methylfuran-2-yl)methyl]piperazine is sourced from PubChem (CID 3246663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).