(2S)-1-[(2R)-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpiperazin-1-yl]propan-2-ol

C17H29N3O2 — CID 98768813

IUPAC(2S)-1-[(2R)-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpiperazin-1-yl]propan-2-ol
SMILESCOc1c(C)cnc(CN2CCN(C[C@H](C)O)[C@H](C)C2)c1C
InChIInChI=1S/C17H29N3O2/c1-12-8-18-16(15(4)17(12)22-5)11-19-6-7-20(10-14(3)21)13(2)9-19/h8,13-14,21H,6-7,9-11H2,1-5H3/t13-,14+/m1/s1
InChIKeyLOEVFVFXYZTHIF-KGLIPLIRSA-N
MW307.44 g/mol
LogP1.59
Rot. Bonds5

About (2S)-1-[(2R)-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpiperazin-1-yl]propan-2-ol

(2S)-1-[(2R)-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpiperazin-1-yl]propan-2-ol (PubChem CID 98768813) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is (2S)-1-[(2R)-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpiperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(2R)-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpiperazin-1-yl]propan-2-ol
PubChem CID98768813
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name(2S)-1-[(2R)-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpiperazin-1-yl]propan-2-ol
SMILESCOc1c(C)cnc(CN2CCN(C[C@H](C)O)[C@H](C)C2)c1C
InChIInChI=1S/C17H29N3O2/c1-12-8-18-16(15(4)17(12)22-5)11-19-6-7-20(10-14(3)21)13(2)9-19/h8,13-14,21H,6-7,9-11H2,1-5H3/t13-,14+/m1/s1
InChIKeyLOEVFVFXYZTHIF-KGLIPLIRSA-N
XLogP1.59
TPSA48.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-1-[(2R)-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpiperazin-1-yl]propan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

1-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]ethanol
CID 103655825
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-methylpiperidin-4-ol
CID 114502552
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-ol
CID 62021333
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidin-3-amine;dihydrochloride
CID 119917723
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidine-3-carboxylic acid
CID 63032394
2-[[3-(difluoromethyl)azetidin-1-yl]methyl]-4-methoxy-3,5-dimethylpyridine
CID 171994399
2-[[3-(bromomethyl)pyrrolidin-1-yl]methyl]-4-methoxy-3,5-dimethylpyridine
CID 80691461
1-(2-chloroethyl)-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperazine
CID 63387078
(2R)-1-[4-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 95757646
(2R)-1-[(2R)-2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propan-2-ol
CID 95602161
2-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperazin-1-yl]ethanethioamide
CID 63336983
4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]morpholine
CID 171130228

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2R)-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpiperazin-1-yl]propan-2-ol?
The IUPAC name of (2S)-1-[(2R)-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpiperazin-1-yl]propan-2-ol (CID 98768813) is (2S)-1-[(2R)-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpiperazin-1-yl]propan-2-ol.
What is the SMILES notation for (2S)-1-[(2R)-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpiperazin-1-yl]propan-2-ol?
The canonical SMILES for (2S)-1-[(2R)-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpiperazin-1-yl]propan-2-ol is COc1c(C)cnc(CN2CCN(C[C@H](C)O)[C@H](C)C2)c1C.
What is the InChIKey of (2S)-1-[(2R)-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpiperazin-1-yl]propan-2-ol?
The InChIKey is LOEVFVFXYZTHIF-KGLIPLIRSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-12-8-18-16(15(4)17(12)22-5)11-19-6-7-20(10-14(3)21)13(2)9-19/h8,13-14,21H,6-7,9-11H2,1-5H3/t13-,14+/m1/s1.
What are the key properties of (2S)-1-[(2R)-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpiperazin-1-yl]propan-2-ol?
(2S)-1-[(2R)-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpiperazin-1-yl]propan-2-ol has a molecular weight of 307.44 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2R)-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpiperazin-1-yl]propan-2-ol is sourced from PubChem (CID 98768813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).