(1-methylpiperazin-2-yl)methanol;dihydrochloride

C6H16Cl2N2O — CID 57481582

IUPAC(1-methylpiperazin-2-yl)methanol;dihydrochloride
SMILESCN1CCNCC1CO.Cl.Cl
InChIInChI=1S/C6H14N2O.2ClH/c1-8-3-2-7-4-6(8)5-9;;/h6-7,9H,2-5H2,1H3;2*1H
InChIKeyOJUDQTSOHNKTHI-UHFFFAOYSA-N
MW203.11 g/mol
LogP-0.27
Rot. Bonds1

About (1-methylpiperazin-2-yl)methanol;dihydrochloride

(1-methylpiperazin-2-yl)methanol;dihydrochloride (PubChem CID 57481582) has the molecular formula C6H16Cl2N2O and a molecular weight of 203.11 g/mol. Its IUPAC name is (1-methylpiperazin-2-yl)methanol;dihydrochloride.

Molecular Properties

Compound Name(1-methylpiperazin-2-yl)methanol;dihydrochloride
PubChem CID57481582
Molecular FormulaC6H16Cl2N2O
Molecular Weight203.11 g/mol
Exact Mass202.06
IUPAC Name(1-methylpiperazin-2-yl)methanol;dihydrochloride
SMILESCN1CCNCC1CO.Cl.Cl
InChIInChI=1S/C6H14N2O.2ClH/c1-8-3-2-7-4-6(8)5-9;;/h6-7,9H,2-5H2,1H3;2*1H
InChIKeyOJUDQTSOHNKTHI-UHFFFAOYSA-N
XLogP-0.27
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.11
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-1-methylpiperazin-2-yl]methanol;dihydrochloride
CID 68807416
[(2R)-1-methylpiperazin-2-yl]methanol
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(4-methyl-1,4-diazepan-5-yl)methanol
CID 23090554
2-(methoxymethyl)-1-methylpiperazine;hydrochloride
CID 178190513
ethane;(1-methylpiperazin-2-yl)methanethiol
CID 171068891
(2S)-2-(2-fluoroethyl)-1-methylpiperazine
CID 124660399
(1-methylpiperazin-2-yl)methanesulfonamide
CID 139343232
(1-oxidopiperazin-2-yl)methanol
CID 87775349
(1-tert-butylpiperazin-2-yl)methanol
CID 67248461
1-methyl-2-prop-2-enylpiperazine
CID 22918318
(1-methylpiperazin-2-yl)methyl dihydrogen phosphate
CID 68639832
N-methyl-3-(1-methylpiperazin-2-yl)propan-1-amine;hydrochloride
CID 167741784

Frequently Asked Questions

What is the IUPAC name of (1-methylpiperazin-2-yl)methanol;dihydrochloride?
The IUPAC name of (1-methylpiperazin-2-yl)methanol;dihydrochloride (CID 57481582) is (1-methylpiperazin-2-yl)methanol;dihydrochloride.
What is the SMILES notation for (1-methylpiperazin-2-yl)methanol;dihydrochloride?
The canonical SMILES for (1-methylpiperazin-2-yl)methanol;dihydrochloride is CN1CCNCC1CO.Cl.Cl.
What is the InChIKey of (1-methylpiperazin-2-yl)methanol;dihydrochloride?
The InChIKey is OJUDQTSOHNKTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O.2ClH/c1-8-3-2-7-4-6(8)5-9;;/h6-7,9H,2-5H2,1H3;2*1H.
What are the key properties of (1-methylpiperazin-2-yl)methanol;dihydrochloride?
(1-methylpiperazin-2-yl)methanol;dihydrochloride has a molecular weight of 203.11 g/mol, XLogP of -0.27, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperazin-2-yl)methanol;dihydrochloride is sourced from PubChem (CID 57481582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).