[(2S,4S)-1,2-dimethylpiperidin-4-yl]-[(2R)-4-(2-hydroxy-2-methylpropyl)-2-methylpiperazin-1-yl]methanone

C17H33N3O2 — CID 124878299

IUPAC[(2S,4S)-1,2-dimethylpiperidin-4-yl]-[(2R)-4-(2-hydroxy-2-methylpropyl)-2-methylpiperazin-1-yl]methanone
SMILESC[C@@H]1CN(CC(C)(C)O)CCN1C(=O)[C@H]1CCN(C)[C@@H](C)C1
InChIInChI=1S/C17H33N3O2/c1-13-10-15(6-7-18(13)5)16(21)20-9-8-19(11-14(20)2)12-17(3,4)22/h13-15,22H,6-12H2,1-5H3/t13-,14+,15-/m0/s1
InChIKeyYOARIKUIZDUNMN-ZNMIVQPWSA-N
MW311.47 g/mol
LogP1.02
Rot. Bonds3

About [(2S,4S)-1,2-dimethylpiperidin-4-yl]-[(2R)-4-(2-hydroxy-2-methylpropyl)-2-methylpiperazin-1-yl]methanone

[(2S,4S)-1,2-dimethylpiperidin-4-yl]-[(2R)-4-(2-hydroxy-2-methylpropyl)-2-methylpiperazin-1-yl]methanone (PubChem CID 124878299) has the molecular formula C17H33N3O2 and a molecular weight of 311.47 g/mol. Its IUPAC name is [(2S,4S)-1,2-dimethylpiperidin-4-yl]-[(2R)-4-(2-hydroxy-2-methylpropyl)-2-methylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name[(2S,4S)-1,2-dimethylpiperidin-4-yl]-[(2R)-4-(2-hydroxy-2-methylpropyl)-2-methylpiperazin-1-yl]methanone
PubChem CID124878299
Molecular FormulaC17H33N3O2
Molecular Weight311.47 g/mol
Exact Mass311.26
IUPAC Name[(2S,4S)-1,2-dimethylpiperidin-4-yl]-[(2R)-4-(2-hydroxy-2-methylpropyl)-2-methylpiperazin-1-yl]methanone
SMILESC[C@@H]1CN(CC(C)(C)O)CCN1C(=O)[C@H]1CCN(C)[C@@H](C)C1
InChIInChI=1S/C17H33N3O2/c1-13-10-15(6-7-18(13)5)16(21)20-9-8-19(11-14(20)2)12-17(3,4)22/h13-15,22H,6-12H2,1-5H3/t13-,14+,15-/m0/s1
InChIKeyYOARIKUIZDUNMN-ZNMIVQPWSA-N
XLogP1.02
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2S,4S)-1,2-dimethylpiperidin-4-yl]-[(2R)-4-(2-hydroxy-2-methylpropyl)-2-methylpiperazin-1-yl]methanone with MolForge

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Related Compounds

[4-(2-hydroxy-2-methylpropyl)-2-methylpiperazin-1-yl]-(1-methyltriazol-4-yl)methanone
CID 139002271
tert-butyl (2S,4S)-1,2-dimethylpiperidine-4-carboxylate;propane
CID 177325275
[4-(2-hydroxy-2-methylpropyl)-2-methylpiperazin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone
CID 139007099
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-hydroxy-2-methylpropyl)-2-methylpiperazin-1-yl]methanone
CID 138997748
azepan-1-yl-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]methanone
CID 110932465
methyl 1-(2-hydroxy-2-methylpropyl)piperidine-3-carboxylate
CID 78946871
tert-butyl N-[(3R)-1-(2-hydroxy-2-methylpropyl)piperidin-3-yl]carbamate
CID 171852591
1-[4-(2,4-dimethylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
CID 110741134
4-(2-hydroxy-2-methylpropyl)-2-methyl-N-[2-(N-methylanilino)ethyl]piperazine-1-carboxamide
CID 136533856
1-(1,2-dimethylpyrrolidin-3-yl)-3-[(3R)-1-(2-hydroxy-2-methylpropyl)pyrrolidin-3-yl]urea
CID 166255488
ethyl (3R)-1-(2-hydroxy-2-methylpropyl)piperidine-3-carboxylate
CID 81339381
4-(2-hydroxy-2-methylpropyl)-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]piperazine-1-carboxamide
CID 131963672

Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-1,2-dimethylpiperidin-4-yl]-[(2R)-4-(2-hydroxy-2-methylpropyl)-2-methylpiperazin-1-yl]methanone?
The IUPAC name of [(2S,4S)-1,2-dimethylpiperidin-4-yl]-[(2R)-4-(2-hydroxy-2-methylpropyl)-2-methylpiperazin-1-yl]methanone (CID 124878299) is [(2S,4S)-1,2-dimethylpiperidin-4-yl]-[(2R)-4-(2-hydroxy-2-methylpropyl)-2-methylpiperazin-1-yl]methanone.
What is the SMILES notation for [(2S,4S)-1,2-dimethylpiperidin-4-yl]-[(2R)-4-(2-hydroxy-2-methylpropyl)-2-methylpiperazin-1-yl]methanone?
The canonical SMILES for [(2S,4S)-1,2-dimethylpiperidin-4-yl]-[(2R)-4-(2-hydroxy-2-methylpropyl)-2-methylpiperazin-1-yl]methanone is C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)[C@H]1CCN(C)[C@@H](C)C1.
What is the InChIKey of [(2S,4S)-1,2-dimethylpiperidin-4-yl]-[(2R)-4-(2-hydroxy-2-methylpropyl)-2-methylpiperazin-1-yl]methanone?
The InChIKey is YOARIKUIZDUNMN-ZNMIVQPWSA-N. The full InChI is InChI=1S/C17H33N3O2/c1-13-10-15(6-7-18(13)5)16(21)20-9-8-19(11-14(20)2)12-17(3,4)22/h13-15,22H,6-12H2,1-5H3/t13-,14+,15-/m0/s1.
What are the key properties of [(2S,4S)-1,2-dimethylpiperidin-4-yl]-[(2R)-4-(2-hydroxy-2-methylpropyl)-2-methylpiperazin-1-yl]methanone?
[(2S,4S)-1,2-dimethylpiperidin-4-yl]-[(2R)-4-(2-hydroxy-2-methylpropyl)-2-methylpiperazin-1-yl]methanone has a molecular weight of 311.47 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-1,2-dimethylpiperidin-4-yl]-[(2R)-4-(2-hydroxy-2-methylpropyl)-2-methylpiperazin-1-yl]methanone is sourced from PubChem (CID 124878299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).