2-[(2S)-4-[(6-tert-butyl-3-pyridinyl)methyl]-2-methylpiperazin-1-yl]ethanol

C17H29N3O — CID 134595804

IUPAC2-[(2S)-4-[(6-tert-butyl-3-pyridinyl)methyl]-2-methylpiperazin-1-yl]ethanol
SMILESC[C@H]1CN(Cc2ccc(C(C)(C)C)nc2)CCN1CCO
InChIInChI=1S/C17H29N3O/c1-14-12-19(7-8-20(14)9-10-21)13-15-5-6-16(18-11-15)17(2,3)4/h5-6,11,14,21H,7-10,12-13H2,1-4H3/t14-/m0/s1
InChIKeyUXAKGPBMUYKWDB-AWEZNQCLSA-N
MW291.44 g/mol
LogP1.88
Rot. Bonds4

About 2-[(2S)-4-[(6-tert-butyl-3-pyridinyl)methyl]-2-methylpiperazin-1-yl]ethanol

2-[(2S)-4-[(6-tert-butyl-3-pyridinyl)methyl]-2-methylpiperazin-1-yl]ethanol (PubChem CID 134595804) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-[(2S)-4-[(6-tert-butyl-3-pyridinyl)methyl]-2-methylpiperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[(2S)-4-[(6-tert-butyl-3-pyridinyl)methyl]-2-methylpiperazin-1-yl]ethanol
PubChem CID134595804
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name2-[(2S)-4-[(6-tert-butyl-3-pyridinyl)methyl]-2-methylpiperazin-1-yl]ethanol
SMILESC[C@H]1CN(Cc2ccc(C(C)(C)C)nc2)CCN1CCO
InChIInChI=1S/C17H29N3O/c1-14-12-19(7-8-20(14)9-10-21)13-15-5-6-16(18-11-15)17(2,3)4/h5-6,11,14,21H,7-10,12-13H2,1-4H3/t14-/m0/s1
InChIKeyUXAKGPBMUYKWDB-AWEZNQCLSA-N
XLogP1.88
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[(6-tert-butyl-3-pyridinyl)methyl]piperidin-3-ol
CID 134595793
1-[(6-tert-butyl-3-pyridinyl)methyl]piperidin-4-ol
CID 134595430
1-[4-[(6-tert-butyl-3-pyridinyl)methyl]piperazin-1-yl]-2-methylpropan-2-ol
CID 134595629
1-[(6-tert-butyl-3-pyridinyl)methyl]pyrrolidine-3-carboxylic acid
CID 134595460
2-tert-butyl-5-(piperidin-1-ylmethyl)pyridine
CID 71286312
5-[(4-ethyl-3-methylpiperazin-1-yl)methyl]pyridin-2-amine
CID 63633712
2-[4-[(2-amino-1,3-thiazol-5-yl)methyl]-2-methylpiperazin-1-yl]ethanol
CID 120904205
[4-[[4-[[4-(hydroxymethyl)phenyl]methyl]-3-methylpiperazin-1-yl]methyl]phenyl]methanol
CID 75517917
6-[(6-tert-butyl-3-pyridinyl)methyl]-3-sulfanyl-3,6-diazabicyclo[3.1.1]heptane
CID 134436250
1,2-dimethyl-4-[(6-propan-2-yl-3-pyridinyl)methyl]piperazine
CID 155471370
2-[(2R)-2-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanol
CID 166175485
4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]benzoic acid
CID 63609405

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-[(6-tert-butyl-3-pyridinyl)methyl]-2-methylpiperazin-1-yl]ethanol?
The IUPAC name of 2-[(2S)-4-[(6-tert-butyl-3-pyridinyl)methyl]-2-methylpiperazin-1-yl]ethanol (CID 134595804) is 2-[(2S)-4-[(6-tert-butyl-3-pyridinyl)methyl]-2-methylpiperazin-1-yl]ethanol.
What is the SMILES notation for 2-[(2S)-4-[(6-tert-butyl-3-pyridinyl)methyl]-2-methylpiperazin-1-yl]ethanol?
The canonical SMILES for 2-[(2S)-4-[(6-tert-butyl-3-pyridinyl)methyl]-2-methylpiperazin-1-yl]ethanol is C[C@H]1CN(Cc2ccc(C(C)(C)C)nc2)CCN1CCO.
What is the InChIKey of 2-[(2S)-4-[(6-tert-butyl-3-pyridinyl)methyl]-2-methylpiperazin-1-yl]ethanol?
The InChIKey is UXAKGPBMUYKWDB-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H29N3O/c1-14-12-19(7-8-20(14)9-10-21)13-15-5-6-16(18-11-15)17(2,3)4/h5-6,11,14,21H,7-10,12-13H2,1-4H3/t14-/m0/s1.
What are the key properties of 2-[(2S)-4-[(6-tert-butyl-3-pyridinyl)methyl]-2-methylpiperazin-1-yl]ethanol?
2-[(2S)-4-[(6-tert-butyl-3-pyridinyl)methyl]-2-methylpiperazin-1-yl]ethanol has a molecular weight of 291.44 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4-[(6-tert-butyl-3-pyridinyl)methyl]-2-methylpiperazin-1-yl]ethanol is sourced from PubChem (CID 134595804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).