(1-tert-butylpiperazin-2-yl)methanol

C9H20N2O — CID 67248461

IUPAC(1-tert-butylpiperazin-2-yl)methanol
SMILESCC(C)(C)N1CCNCC1CO
InChIInChI=1S/C9H20N2O/c1-9(2,3)11-5-4-10-6-8(11)7-12/h8,10,12H,4-7H2,1-3H3
InChIKeyHNEAJZFXBDHKLG-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.05
Rot. Bonds1

About (1-tert-butylpiperazin-2-yl)methanol

(1-tert-butylpiperazin-2-yl)methanol (PubChem CID 67248461) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is (1-tert-butylpiperazin-2-yl)methanol.

Molecular Properties

Compound Name(1-tert-butylpiperazin-2-yl)methanol
PubChem CID67248461
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name(1-tert-butylpiperazin-2-yl)methanol
SMILESCC(C)(C)N1CCNCC1CO
InChIInChI=1S/C9H20N2O/c1-9(2,3)11-5-4-10-6-8(11)7-12/h8,10,12H,4-7H2,1-3H3
InChIKeyHNEAJZFXBDHKLG-UHFFFAOYSA-N
XLogP0.05
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
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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Related Compounds

[(2R)-1-methylpiperazin-2-yl]methanol
CID 51669493
[(2R)-1-methylpiperazin-2-yl]methanol;dihydrochloride
CID 68807416
(1-methylpiperazin-2-yl)methanol;dihydrochloride
CID 57481582
(1-oxidopiperazin-2-yl)methanol
CID 87775349
1-[(2R)-2-(hydroxymethyl)piperazin-1-yl]ethanone
CID 145171678
tert-butyl (2R)-2-(hydroxymethyl)piperazine-1-carboxylate;hydrochloride
CID 45072229
(1-tert-butylazepan-2-yl)methanol
CID 84660252
[(2R)-1-propylsulfanylpiperazin-2-yl]methanol
CID 138547200
(1-amino-2-methylpropan-2-yl) (2S)-2-(hydroxymethyl)piperazine-1-carboxylate
CID 154966130
2-(hydroxymethyl)-N-methylpiperazine-1-carboxamide
CID 177056056
2-(hydroxymethyl)piperazine-1-carboxamide
CID 175982295
[1-(oxetan-3-yl)piperazin-2-yl]methanol
CID 141386363

Frequently Asked Questions

What is the IUPAC name of (1-tert-butylpiperazin-2-yl)methanol?
The IUPAC name of (1-tert-butylpiperazin-2-yl)methanol (CID 67248461) is (1-tert-butylpiperazin-2-yl)methanol.
What is the SMILES notation for (1-tert-butylpiperazin-2-yl)methanol?
The canonical SMILES for (1-tert-butylpiperazin-2-yl)methanol is CC(C)(C)N1CCNCC1CO.
What is the InChIKey of (1-tert-butylpiperazin-2-yl)methanol?
The InChIKey is HNEAJZFXBDHKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-9(2,3)11-5-4-10-6-8(11)7-12/h8,10,12H,4-7H2,1-3H3.
What are the key properties of (1-tert-butylpiperazin-2-yl)methanol?
(1-tert-butylpiperazin-2-yl)methanol has a molecular weight of 172.27 g/mol, XLogP of 0.05, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tert-butylpiperazin-2-yl)methanol is sourced from PubChem (CID 67248461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).