2-methyl-1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]propan-2-ol

C15H31N3O — CID 111113367

IUPAC2-methyl-1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]propan-2-ol
SMILESCN1CCCCC1CN1CCN(CC(C)(C)O)CC1
InChIInChI=1S/C15H31N3O/c1-15(2,19)13-18-10-8-17(9-11-18)12-14-6-4-5-7-16(14)3/h14,19H,4-13H2,1-3H3
InChIKeyALJZYWWRORABOZ-UHFFFAOYSA-N
MW269.43 g/mol
LogP0.86
Rot. Bonds4

About 2-methyl-1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]propan-2-ol

2-methyl-1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]propan-2-ol (PubChem CID 111113367) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-methyl-1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]propan-2-ol
PubChem CID111113367
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name2-methyl-1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]propan-2-ol
SMILESCN1CCCCC1CN1CCN(CC(C)(C)O)CC1
InChIInChI=1S/C15H31N3O/c1-15(2,19)13-18-10-8-17(9-11-18)12-14-6-4-5-7-16(14)3/h14,19H,4-13H2,1-3H3
InChIKeyALJZYWWRORABOZ-UHFFFAOYSA-N
XLogP0.86
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-methyl-2-(pyrrolidin-1-ylmethyl)pyrrolidine
CID 10920923
1-[[(2R)-1-methylpiperidin-2-yl]methyl]piperazine
CID 51614709
(2R)-1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]butan-2-ol
CID 111487950
1-(4-cycloheptylpiperazin-1-yl)-2-methylpropan-2-ol
CID 82929861
1-[[(2S)-1-methylpiperidin-2-yl]methyl]-4-piperidin-1-ylsulfonylpiperazine
CID 95304459
(2S)-2-(2,2-dimethylpropyl)-1-methylpiperidine
CID 58874495
2-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-1-phenylethanol
CID 111113369
(2R)-1-[4-[[(2R)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 99104205
(2R)-2-ethyl-1-methylpiperidine
CID 67552955
1-methyl-2-[(1-methylpiperidin-2-yl)methyl]piperidine
CID 54394556
1-(2-hydroxy-2-methylpropyl)piperidin-4-ol
CID 60886320
1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 111422240

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]propan-2-ol?
The IUPAC name of 2-methyl-1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]propan-2-ol (CID 111113367) is 2-methyl-1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]propan-2-ol?
The canonical SMILES for 2-methyl-1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]propan-2-ol is CN1CCCCC1CN1CCN(CC(C)(C)O)CC1.
What is the InChIKey of 2-methyl-1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]propan-2-ol?
The InChIKey is ALJZYWWRORABOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-15(2,19)13-18-10-8-17(9-11-18)12-14-6-4-5-7-16(14)3/h14,19H,4-13H2,1-3H3.
What are the key properties of 2-methyl-1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]propan-2-ol?
2-methyl-1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]propan-2-ol has a molecular weight of 269.43 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 111113367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).