[(2S)-6,6-dimethyl-4-prop-1-en-2-ylpiperazin-2-yl]methanol

C10H20N2O — CID 178144812

IUPAC[(2S)-6,6-dimethyl-4-prop-1-en-2-ylpiperazin-2-yl]methanol
SMILESC=C(C)N1C[C@@H](CO)NC(C)(C)C1
InChIInChI=1S/C10H20N2O/c1-8(2)12-5-9(6-13)11-10(3,4)7-12/h9,11,13H,1,5-7H2,2-4H3/t9-/m0/s1
InChIKeyKPVWOOIUJBBIGE-VIFPVBQESA-N
MW184.28 g/mol
LogP0.56
Rot. Bonds2

About [(2S)-6,6-dimethyl-4-prop-1-en-2-ylpiperazin-2-yl]methanol

[(2S)-6,6-dimethyl-4-prop-1-en-2-ylpiperazin-2-yl]methanol (PubChem CID 178144812) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is [(2S)-6,6-dimethyl-4-prop-1-en-2-ylpiperazin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-6,6-dimethyl-4-prop-1-en-2-ylpiperazin-2-yl]methanol
PubChem CID178144812
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name[(2S)-6,6-dimethyl-4-prop-1-en-2-ylpiperazin-2-yl]methanol
SMILESC=C(C)N1C[C@@H](CO)NC(C)(C)C1
InChIInChI=1S/C10H20N2O/c1-8(2)12-5-9(6-13)11-10(3,4)7-12/h9,11,13H,1,5-7H2,2-4H3/t9-/m0/s1
InChIKeyKPVWOOIUJBBIGE-VIFPVBQESA-N
XLogP0.56
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S)-6,6-dimethyl-4-prop-1-en-2-ylpiperazin-2-yl]methanol?
The IUPAC name of [(2S)-6,6-dimethyl-4-prop-1-en-2-ylpiperazin-2-yl]methanol (CID 178144812) is [(2S)-6,6-dimethyl-4-prop-1-en-2-ylpiperazin-2-yl]methanol.
What is the SMILES notation for [(2S)-6,6-dimethyl-4-prop-1-en-2-ylpiperazin-2-yl]methanol?
The canonical SMILES for [(2S)-6,6-dimethyl-4-prop-1-en-2-ylpiperazin-2-yl]methanol is C=C(C)N1C[C@@H](CO)NC(C)(C)C1.
What is the InChIKey of [(2S)-6,6-dimethyl-4-prop-1-en-2-ylpiperazin-2-yl]methanol?
The InChIKey is KPVWOOIUJBBIGE-VIFPVBQESA-N. The full InChI is InChI=1S/C10H20N2O/c1-8(2)12-5-9(6-13)11-10(3,4)7-12/h9,11,13H,1,5-7H2,2-4H3/t9-/m0/s1.
What are the key properties of [(2S)-6,6-dimethyl-4-prop-1-en-2-ylpiperazin-2-yl]methanol?
[(2S)-6,6-dimethyl-4-prop-1-en-2-ylpiperazin-2-yl]methanol has a molecular weight of 184.28 g/mol, XLogP of 0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-6,6-dimethyl-4-prop-1-en-2-ylpiperazin-2-yl]methanol is sourced from PubChem (CID 178144812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).