1-[(3S,4R)-3-methoxy-4-methylpiperidin-1-yl]-3-[(3S,4S)-3-methoxy-4-methylpiperidin-1-yl]propan-2-ol

C17H34N2O3 — CID 124829258

IUPAC1-[(3S,4R)-3-methoxy-4-methylpiperidin-1-yl]-3-[(3S,4S)-3-methoxy-4-methylpiperidin-1-yl]propan-2-ol
SMILESCO[C@@H]1CN(CC(O)CN2CC[C@H](C)[C@H](OC)C2)CC[C@H]1C
InChIInChI=1S/C17H34N2O3/c1-13-5-7-18(11-16(13)21-3)9-15(20)10-19-8-6-14(2)17(12-19)22-4/h13-17,20H,5-12H2,1-4H3/t13-,14+,15?,16-,17-/m1/s1
InChIKeyMKRAFFRSKJUYER-PFUJJPPESA-N
MW314.47 g/mol
LogP1.06
Rot. Bonds6

About 1-[(3S,4R)-3-methoxy-4-methylpiperidin-1-yl]-3-[(3S,4S)-3-methoxy-4-methylpiperidin-1-yl]propan-2-ol

1-[(3S,4R)-3-methoxy-4-methylpiperidin-1-yl]-3-[(3S,4S)-3-methoxy-4-methylpiperidin-1-yl]propan-2-ol (PubChem CID 124829258) has the molecular formula C17H34N2O3 and a molecular weight of 314.47 g/mol. Its IUPAC name is 1-[(3S,4R)-3-methoxy-4-methylpiperidin-1-yl]-3-[(3S,4S)-3-methoxy-4-methylpiperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[(3S,4R)-3-methoxy-4-methylpiperidin-1-yl]-3-[(3S,4S)-3-methoxy-4-methylpiperidin-1-yl]propan-2-ol
PubChem CID124829258
Molecular FormulaC17H34N2O3
Molecular Weight314.47 g/mol
Exact Mass314.26
IUPAC Name1-[(3S,4R)-3-methoxy-4-methylpiperidin-1-yl]-3-[(3S,4S)-3-methoxy-4-methylpiperidin-1-yl]propan-2-ol
SMILESCO[C@@H]1CN(CC(O)CN2CC[C@H](C)[C@H](OC)C2)CC[C@H]1C
InChIInChI=1S/C17H34N2O3/c1-13-5-7-18(11-16(13)21-3)9-15(20)10-19-8-6-14(2)17(12-19)22-4/h13-17,20H,5-12H2,1-4H3/t13-,14+,15?,16-,17-/m1/s1
InChIKeyMKRAFFRSKJUYER-PFUJJPPESA-N
XLogP1.06
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-(3-methoxy-4-methylpiperidin-1-yl)propan-2-amine
CID 102965393
1-cyclopropyl-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine
CID 102965354
1-(3-methoxy-4-methylpiperidin-1-yl)-N-methylbutan-2-amine
CID 102965443
ethyl 2-amino-3-(3-methoxy-4-methylpiperidin-1-yl)propanoate
CID 102966332
2-(3-methoxy-4-methylpiperidin-1-yl)ethanethiol
CID 102969172
ethyl 2-(cyclopropylamino)-3-(3-methoxy-4-methylpiperidin-1-yl)propanoate
CID 102966348
2-(3-methoxy-4-methylpiperidin-1-yl)-1-(4-methylphenyl)ethanamine
CID 102965335
4-(3-methoxy-4-methylpiperidin-1-yl)-2-(methylamino)butan-1-ol
CID 102968904
1-(3-methoxy-4-methylpiperidin-1-yl)-3,3-dimethylbutan-2-one
CID 102960525
2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-2-methylbutanoic acid
CID 102967441
4-(3-methoxy-4-methylpiperidin-1-yl)butan-1-amine
CID 102956570
1-(3,5-dimethylphenyl)-2-(3-methoxy-4-methylpiperidin-1-yl)-N-methylethanamine
CID 102965330

Frequently Asked Questions

What is the IUPAC name of 1-[(3S,4R)-3-methoxy-4-methylpiperidin-1-yl]-3-[(3S,4S)-3-methoxy-4-methylpiperidin-1-yl]propan-2-ol?
The IUPAC name of 1-[(3S,4R)-3-methoxy-4-methylpiperidin-1-yl]-3-[(3S,4S)-3-methoxy-4-methylpiperidin-1-yl]propan-2-ol (CID 124829258) is 1-[(3S,4R)-3-methoxy-4-methylpiperidin-1-yl]-3-[(3S,4S)-3-methoxy-4-methylpiperidin-1-yl]propan-2-ol.
What is the SMILES notation for 1-[(3S,4R)-3-methoxy-4-methylpiperidin-1-yl]-3-[(3S,4S)-3-methoxy-4-methylpiperidin-1-yl]propan-2-ol?
The canonical SMILES for 1-[(3S,4R)-3-methoxy-4-methylpiperidin-1-yl]-3-[(3S,4S)-3-methoxy-4-methylpiperidin-1-yl]propan-2-ol is CO[C@@H]1CN(CC(O)CN2CC[C@H](C)[C@H](OC)C2)CC[C@H]1C.
What is the InChIKey of 1-[(3S,4R)-3-methoxy-4-methylpiperidin-1-yl]-3-[(3S,4S)-3-methoxy-4-methylpiperidin-1-yl]propan-2-ol?
The InChIKey is MKRAFFRSKJUYER-PFUJJPPESA-N. The full InChI is InChI=1S/C17H34N2O3/c1-13-5-7-18(11-16(13)21-3)9-15(20)10-19-8-6-14(2)17(12-19)22-4/h13-17,20H,5-12H2,1-4H3/t13-,14+,15?,16-,17-/m1/s1.
What are the key properties of 1-[(3S,4R)-3-methoxy-4-methylpiperidin-1-yl]-3-[(3S,4S)-3-methoxy-4-methylpiperidin-1-yl]propan-2-ol?
1-[(3S,4R)-3-methoxy-4-methylpiperidin-1-yl]-3-[(3S,4S)-3-methoxy-4-methylpiperidin-1-yl]propan-2-ol has a molecular weight of 314.47 g/mol, XLogP of 1.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S,4R)-3-methoxy-4-methylpiperidin-1-yl]-3-[(3S,4S)-3-methoxy-4-methylpiperidin-1-yl]propan-2-ol is sourced from PubChem (CID 124829258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).