1-(4-benzhydrylidenepiperidin-1-yl)-3-[(2-methoxy-3-pyridinyl)methoxy]propan-2-ol

C28H32N2O3 — CID 139685724

IUPAC1-(4-benzhydrylidenepiperidin-1-yl)-3-[(2-methoxy-3-pyridinyl)methoxy]propan-2-ol
SMILESCOc1ncccc1COCC(O)CN1CCC(=C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C28H32N2O3/c1-32-28-25(13-8-16-29-28)20-33-21-26(31)19-30-17-14-24(15-18-30)27(22-9-4-2-5-10-22)23-11-6-3-7-12-23/h2-13,16,26,31H,14-15,17-21H2,1H3
InChIKeyOMXSEOIEFGVJEH-UHFFFAOYSA-N
MW444.58 g/mol
LogP4.57
Rot. Bonds9

About 1-(4-benzhydrylidenepiperidin-1-yl)-3-[(2-methoxy-3-pyridinyl)methoxy]propan-2-ol

1-(4-benzhydrylidenepiperidin-1-yl)-3-[(2-methoxy-3-pyridinyl)methoxy]propan-2-ol (PubChem CID 139685724) has the molecular formula C28H32N2O3 and a molecular weight of 444.58 g/mol. Its IUPAC name is 1-(4-benzhydrylidenepiperidin-1-yl)-3-[(2-methoxy-3-pyridinyl)methoxy]propan-2-ol.

Molecular Properties

Compound Name1-(4-benzhydrylidenepiperidin-1-yl)-3-[(2-methoxy-3-pyridinyl)methoxy]propan-2-ol
PubChem CID139685724
Molecular FormulaC28H32N2O3
Molecular Weight444.58 g/mol
Exact Mass444.24
IUPAC Name1-(4-benzhydrylidenepiperidin-1-yl)-3-[(2-methoxy-3-pyridinyl)methoxy]propan-2-ol
SMILESCOc1ncccc1COCC(O)CN1CCC(=C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C28H32N2O3/c1-32-28-25(13-8-16-29-28)20-33-21-26(31)19-30-17-14-24(15-18-30)27(22-9-4-2-5-10-22)23-11-6-3-7-12-23/h2-13,16,26,31H,14-15,17-21H2,1H3
InChIKeyOMXSEOIEFGVJEH-UHFFFAOYSA-N
XLogP4.57
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-benzhydrylidenepiperidin-1-yl)-3-[(2-methoxy-3-pyridinyl)methoxy]propan-2-ol with MolForge

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Related Compounds

1-(4-benzhydrylidenepiperidin-1-yl)-3-(pyridin-4-ylmethoxy)propan-2-ol
CID 139685751
1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol chloride
CID 53346846
(2S)-1-[(2-methoxyphenyl)methoxy]-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-ol
CID 25490234
1-[(2S)-2-hydroxy-3-phenylmethoxypropyl]piperidin-4-one
CID 95357977
1-(4-benzhydrylidenepiperidin-1-yl)-3-[2-[1-[3-(methoxymethyl)-1,2-oxazol-5-yl]ethenyl]phenoxy]propan-2-ol
CID 19958770
1-(4-methylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol
CID 2834350
(2S)-1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol
CID 740501
1-[4-[bis[4-(dimethylamino)phenyl]methylidene]piperidin-1-yl]-3-quinolin-5-yloxypropan-2-ol
CID 139710168
1-(4-ethyl-1,4-diazepan-1-yl)-3-[(2-methoxyphenyl)methoxy]propan-2-ol
CID 111102960
1-[(3-methyl-2-pyridinyl)oxy]-3-piperidin-1-ylpropan-2-ol
CID 175939831
1-phenylmethoxy-3-piperidin-1-ylpropan-2-ol
CID 2769742
(2S)-1-[(2-fluorophenyl)methoxy]-3-pyrrolidin-1-ylpropan-2-ol
CID 2314434

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzhydrylidenepiperidin-1-yl)-3-[(2-methoxy-3-pyridinyl)methoxy]propan-2-ol?
The IUPAC name of 1-(4-benzhydrylidenepiperidin-1-yl)-3-[(2-methoxy-3-pyridinyl)methoxy]propan-2-ol (CID 139685724) is 1-(4-benzhydrylidenepiperidin-1-yl)-3-[(2-methoxy-3-pyridinyl)methoxy]propan-2-ol.
What is the SMILES notation for 1-(4-benzhydrylidenepiperidin-1-yl)-3-[(2-methoxy-3-pyridinyl)methoxy]propan-2-ol?
The canonical SMILES for 1-(4-benzhydrylidenepiperidin-1-yl)-3-[(2-methoxy-3-pyridinyl)methoxy]propan-2-ol is COc1ncccc1COCC(O)CN1CCC(=C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-(4-benzhydrylidenepiperidin-1-yl)-3-[(2-methoxy-3-pyridinyl)methoxy]propan-2-ol?
The InChIKey is OMXSEOIEFGVJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O3/c1-32-28-25(13-8-16-29-28)20-33-21-26(31)19-30-17-14-24(15-18-30)27(22-9-4-2-5-10-22)23-11-6-3-7-12-23/h2-13,16,26,31H,14-15,17-21H2,1H3.
What are the key properties of 1-(4-benzhydrylidenepiperidin-1-yl)-3-[(2-methoxy-3-pyridinyl)methoxy]propan-2-ol?
1-(4-benzhydrylidenepiperidin-1-yl)-3-[(2-methoxy-3-pyridinyl)methoxy]propan-2-ol has a molecular weight of 444.58 g/mol, XLogP of 4.57, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzhydrylidenepiperidin-1-yl)-3-[(2-methoxy-3-pyridinyl)methoxy]propan-2-ol is sourced from PubChem (CID 139685724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).