2-[4-(piperidin-2-ylmethyl)piperazin-1-yl]ethanol;hydrochloride

C12H26ClN3O — CID 156593490

IUPAC2-[4-(piperidin-2-ylmethyl)piperazin-1-yl]ethanol;hydrochloride
SMILESCl.OCCN1CCN(CC2CCCCN2)CC1
InChIInChI=1S/C12H25N3O.ClH/c16-10-9-14-5-7-15(8-6-14)11-12-3-1-2-4-13-12;/h12-13,16H,1-11H2;1H
InChIKeyKEOWSOHFPQEXIF-UHFFFAOYSA-N
MW263.81 g/mol
LogP0.16
Rot. Bonds4

About 2-[4-(piperidin-2-ylmethyl)piperazin-1-yl]ethanol;hydrochloride

2-[4-(piperidin-2-ylmethyl)piperazin-1-yl]ethanol;hydrochloride (PubChem CID 156593490) has the molecular formula C12H26ClN3O and a molecular weight of 263.81 g/mol. Its IUPAC name is 2-[4-(piperidin-2-ylmethyl)piperazin-1-yl]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[4-(piperidin-2-ylmethyl)piperazin-1-yl]ethanol;hydrochloride
PubChem CID156593490
Molecular FormulaC12H26ClN3O
Molecular Weight263.81 g/mol
Exact Mass263.18
IUPAC Name2-[4-(piperidin-2-ylmethyl)piperazin-1-yl]ethanol;hydrochloride
SMILESCl.OCCN1CCN(CC2CCCCN2)CC1
InChIInChI=1S/C12H25N3O.ClH/c16-10-9-14-5-7-15(8-6-14)11-12-3-1-2-4-13-12;/h12-13,16H,1-11H2;1H
InChIKeyKEOWSOHFPQEXIF-UHFFFAOYSA-N
XLogP0.16
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.81
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(piperidin-2-ylmethyl)piperazin-1-yl]ethanol;dihydrochloride
CID 53408908
2-[4-[[(2S)-piperidin-2-yl]methyl]piperazin-1-yl]ethanol
CID 97109268
1-[[(2R)-piperidin-2-yl]methyl]piperidin-4-ol
CID 86323612
2-[(2S)-piperidin-2-yl]ethanol;hydrochloride
CID 53487138
4-methyl-1-[[(2S)-piperidin-2-yl]methyl]piperidine
CID 7141723
4-[[(2R)-piperidin-2-yl]methyl]thiomorpholine
CID 28787643
1-(piperidin-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 55139612
1-cyclohexyl-4-[[(2S)-pyrrolidin-2-yl]methyl]piperazine
CID 126542421
1-methylsulfonyl-4-(piperidin-2-ylmethyl)piperazine
CID 62992754
(Z)-but-2-enedioic acid;2-(pyrrolidin-1-ylmethyl)piperidine
CID 70383224
1-(pyrrolidin-2-ylmethyl)piperazine
CID 53406264
4-[[(2S)-pyrrolidin-2-yl]methyl]morpholine;dihydrochloride
CID 122361110

Frequently Asked Questions

What is the IUPAC name of 2-[4-(piperidin-2-ylmethyl)piperazin-1-yl]ethanol;hydrochloride?
The IUPAC name of 2-[4-(piperidin-2-ylmethyl)piperazin-1-yl]ethanol;hydrochloride (CID 156593490) is 2-[4-(piperidin-2-ylmethyl)piperazin-1-yl]ethanol;hydrochloride.
What is the SMILES notation for 2-[4-(piperidin-2-ylmethyl)piperazin-1-yl]ethanol;hydrochloride?
The canonical SMILES for 2-[4-(piperidin-2-ylmethyl)piperazin-1-yl]ethanol;hydrochloride is Cl.OCCN1CCN(CC2CCCCN2)CC1.
What is the InChIKey of 2-[4-(piperidin-2-ylmethyl)piperazin-1-yl]ethanol;hydrochloride?
The InChIKey is KEOWSOHFPQEXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O.ClH/c16-10-9-14-5-7-15(8-6-14)11-12-3-1-2-4-13-12;/h12-13,16H,1-11H2;1H.
What are the key properties of 2-[4-(piperidin-2-ylmethyl)piperazin-1-yl]ethanol;hydrochloride?
2-[4-(piperidin-2-ylmethyl)piperazin-1-yl]ethanol;hydrochloride has a molecular weight of 263.81 g/mol, XLogP of 0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(piperidin-2-ylmethyl)piperazin-1-yl]ethanol;hydrochloride is sourced from PubChem (CID 156593490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).