(5-methyl-1-propan-2-ylpiperazin-2-yl)methanol

C9H20N2O — CID 82240916

IUPAC(5-methyl-1-propan-2-ylpiperazin-2-yl)methanol
SMILESCC1CN(C(C)C)C(CO)CN1
InChIInChI=1S/C9H20N2O/c1-7(2)11-5-8(3)10-4-9(11)6-12/h7-10,12H,4-6H2,1-3H3
InChIKeyYWHWUGUHPLLEQO-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.05
Rot. Bonds2

About (5-methyl-1-propan-2-ylpiperazin-2-yl)methanol

(5-methyl-1-propan-2-ylpiperazin-2-yl)methanol (PubChem CID 82240916) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is (5-methyl-1-propan-2-ylpiperazin-2-yl)methanol.

Molecular Properties

Compound Name(5-methyl-1-propan-2-ylpiperazin-2-yl)methanol
PubChem CID82240916
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name(5-methyl-1-propan-2-ylpiperazin-2-yl)methanol
SMILESCC1CN(C(C)C)C(CO)CN1
InChIInChI=1S/C9H20N2O/c1-7(2)11-5-8(3)10-4-9(11)6-12/h7-10,12H,4-6H2,1-3H3
InChIKeyYWHWUGUHPLLEQO-UHFFFAOYSA-N
XLogP0.05
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-1-propan-2-ylpiperazin-2-yl)methanol?
The IUPAC name of (5-methyl-1-propan-2-ylpiperazin-2-yl)methanol (CID 82240916) is (5-methyl-1-propan-2-ylpiperazin-2-yl)methanol.
What is the SMILES notation for (5-methyl-1-propan-2-ylpiperazin-2-yl)methanol?
The canonical SMILES for (5-methyl-1-propan-2-ylpiperazin-2-yl)methanol is CC1CN(C(C)C)C(CO)CN1.
What is the InChIKey of (5-methyl-1-propan-2-ylpiperazin-2-yl)methanol?
The InChIKey is YWHWUGUHPLLEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-7(2)11-5-8(3)10-4-9(11)6-12/h7-10,12H,4-6H2,1-3H3.
What are the key properties of (5-methyl-1-propan-2-ylpiperazin-2-yl)methanol?
(5-methyl-1-propan-2-ylpiperazin-2-yl)methanol has a molecular weight of 172.27 g/mol, XLogP of 0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1-propan-2-ylpiperazin-2-yl)methanol is sourced from PubChem (CID 82240916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).