2-[[(2R,4S,5R)-1,2,5-trimethylpiperidin-4-yl]amino]ethanol

C10H22N2O — CID 93258534

IUPAC2-[[(2R,4S,5R)-1,2,5-trimethylpiperidin-4-yl]amino]ethanol
SMILESC[C@@H]1CN(C)[C@H](C)C[C@@H]1NCCO
InChIInChI=1S/C10H22N2O/c1-8-7-12(3)9(2)6-10(8)11-4-5-13/h8-11,13H,4-7H2,1-3H3/t8-,9-,10+/m1/s1
InChIKeyBWJLFQKKMQMOMN-BBBLOLIVSA-N
MW186.30 g/mol
LogP0.30
Rot. Bonds3

About 2-[[(2R,4S,5R)-1,2,5-trimethylpiperidin-4-yl]amino]ethanol

2-[[(2R,4S,5R)-1,2,5-trimethylpiperidin-4-yl]amino]ethanol (PubChem CID 93258534) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 2-[[(2R,4S,5R)-1,2,5-trimethylpiperidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[(2R,4S,5R)-1,2,5-trimethylpiperidin-4-yl]amino]ethanol
PubChem CID93258534
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name2-[[(2R,4S,5R)-1,2,5-trimethylpiperidin-4-yl]amino]ethanol
SMILESC[C@@H]1CN(C)[C@H](C)C[C@@H]1NCCO
InChIInChI=1S/C10H22N2O/c1-8-7-12(3)9(2)6-10(8)11-4-5-13/h8-11,13H,4-7H2,1-3H3/t8-,9-,10+/m1/s1
InChIKeyBWJLFQKKMQMOMN-BBBLOLIVSA-N
XLogP0.30
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N',N'-dimethyl-N-(1,2,5-trimethylpiperidin-4-yl)propane-1,3-diamine
CID 5149120
(2R,4S,5S)-1,2,5-trimethyl-N-pentylpiperidin-4-amine
CID 93258445
N'-(1,2,5-trimethylpiperidin-4-yl)propane-1,3-diamine
CID 60890113
1,2,5-trimethyl-N-(2-piperidin-1-ylethyl)piperidin-4-amine
CID 54967617
1,2,5-trimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-amine
CID 54860823
(2S)-1-[(1,2,5-trimethylpiperidin-4-yl)amino]propan-2-ol
CID 103906573
(2S)-1-[[(2R,4R,5S)-1,2,5-trimethylpiperidin-4-yl]amino]propan-2-ol
CID 124526610
2-[(1,2,5-trimethylpiperidin-4-yl)amino]acetamide
CID 43665297
1,2,5-trimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]piperidin-4-amine
CID 43665481
N'-cyclohexyl-N'-methyl-N-(1,2,5-trimethylpiperidin-4-yl)propane-1,3-diamine
CID 60981234
(2R)-2-[[(2R,4R,5S)-1,2,5-trimethylpiperidin-4-yl]amino]propan-1-ol
CID 124526611
1,2,5-trimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-amine
CID 55259527

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R,4S,5R)-1,2,5-trimethylpiperidin-4-yl]amino]ethanol?
The IUPAC name of 2-[[(2R,4S,5R)-1,2,5-trimethylpiperidin-4-yl]amino]ethanol (CID 93258534) is 2-[[(2R,4S,5R)-1,2,5-trimethylpiperidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[[(2R,4S,5R)-1,2,5-trimethylpiperidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[[(2R,4S,5R)-1,2,5-trimethylpiperidin-4-yl]amino]ethanol is C[C@@H]1CN(C)[C@H](C)C[C@@H]1NCCO.
What is the InChIKey of 2-[[(2R,4S,5R)-1,2,5-trimethylpiperidin-4-yl]amino]ethanol?
The InChIKey is BWJLFQKKMQMOMN-BBBLOLIVSA-N. The full InChI is InChI=1S/C10H22N2O/c1-8-7-12(3)9(2)6-10(8)11-4-5-13/h8-11,13H,4-7H2,1-3H3/t8-,9-,10+/m1/s1.
What are the key properties of 2-[[(2R,4S,5R)-1,2,5-trimethylpiperidin-4-yl]amino]ethanol?
2-[[(2R,4S,5R)-1,2,5-trimethylpiperidin-4-yl]amino]ethanol has a molecular weight of 186.30 g/mol, XLogP of 0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R,4S,5R)-1,2,5-trimethylpiperidin-4-yl]amino]ethanol is sourced from PubChem (CID 93258534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).