2-[(2S)-2-methyl-4-(3-piperidin-1-ylpropyl)piperazin-1-yl]ethanol

C15H31N3O — CID 99827529

IUPAC2-[(2S)-2-methyl-4-(3-piperidin-1-ylpropyl)piperazin-1-yl]ethanol
SMILESC[C@H]1CN(CCCN2CCCCC2)CCN1CCO
InChIInChI=1S/C15H31N3O/c1-15-14-17(10-11-18(15)12-13-19)9-5-8-16-6-3-2-4-7-16/h15,19H,2-14H2,1H3/t15-/m0/s1
InChIKeyICDJMEOIATZISX-HNNXBMFYSA-N
MW269.43 g/mol
LogP0.86
Rot. Bonds6

About 2-[(2S)-2-methyl-4-(3-piperidin-1-ylpropyl)piperazin-1-yl]ethanol

2-[(2S)-2-methyl-4-(3-piperidin-1-ylpropyl)piperazin-1-yl]ethanol (PubChem CID 99827529) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-[(2S)-2-methyl-4-(3-piperidin-1-ylpropyl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[(2S)-2-methyl-4-(3-piperidin-1-ylpropyl)piperazin-1-yl]ethanol
PubChem CID99827529
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name2-[(2S)-2-methyl-4-(3-piperidin-1-ylpropyl)piperazin-1-yl]ethanol
SMILESC[C@H]1CN(CCCN2CCCCC2)CCN1CCO
InChIInChI=1S/C15H31N3O/c1-15-14-17(10-11-18(15)12-13-19)9-5-8-16-6-3-2-4-7-16/h15,19H,2-14H2,1H3/t15-/m0/s1
InChIKeyICDJMEOIATZISX-HNNXBMFYSA-N
XLogP0.86
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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

2-[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]ethanol
CID 62021526
2-[(2R)-2-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanol
CID 166175485
2-[(3R)-3-methyl-4-(2-methylpropyl)piperazin-1-yl]ethanol
CID 166175492
3-[4-(2-aminoethyl)-3-methylpiperazin-1-yl]propan-1-amine
CID 54370845
4-[(3S)-4-[(2S)-2-hydroxypropyl]-3-methylpiperazin-1-yl]butan-1-ol
CID 100842695
2-[2-methyl-4-(piperidin-3-ylmethyl)piperazin-1-yl]ethanol;hydrochloride
CID 120849803
2-[(3R)-4-(2-aminoethyl)-3-methylpiperazin-1-yl]ethanamine
CID 129181309
5-(3,4-dimethylpiperazin-1-yl)pentan-1-ol
CID 63633957
bis(2-piperidin-1-ylethanol);dihydroiodide
CID 175097300
1-methyl-4-[3-(2-methylpiperidin-1-yl)propyl]piperazine
CID 174676433
1-[4-(2-hydroxyethyl)-3-methylpiperazin-1-yl]ethanone
CID 66568110
10-piperidin-1-yldecan-1-ol
CID 22218518

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-methyl-4-(3-piperidin-1-ylpropyl)piperazin-1-yl]ethanol?
The IUPAC name of 2-[(2S)-2-methyl-4-(3-piperidin-1-ylpropyl)piperazin-1-yl]ethanol (CID 99827529) is 2-[(2S)-2-methyl-4-(3-piperidin-1-ylpropyl)piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[(2S)-2-methyl-4-(3-piperidin-1-ylpropyl)piperazin-1-yl]ethanol?
The canonical SMILES for 2-[(2S)-2-methyl-4-(3-piperidin-1-ylpropyl)piperazin-1-yl]ethanol is C[C@H]1CN(CCCN2CCCCC2)CCN1CCO.
What is the InChIKey of 2-[(2S)-2-methyl-4-(3-piperidin-1-ylpropyl)piperazin-1-yl]ethanol?
The InChIKey is ICDJMEOIATZISX-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-15-14-17(10-11-18(15)12-13-19)9-5-8-16-6-3-2-4-7-16/h15,19H,2-14H2,1H3/t15-/m0/s1.
What are the key properties of 2-[(2S)-2-methyl-4-(3-piperidin-1-ylpropyl)piperazin-1-yl]ethanol?
2-[(2S)-2-methyl-4-(3-piperidin-1-ylpropyl)piperazin-1-yl]ethanol has a molecular weight of 269.43 g/mol, XLogP of 0.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-methyl-4-(3-piperidin-1-ylpropyl)piperazin-1-yl]ethanol is sourced from PubChem (CID 99827529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).