1-(4-benzhydrylidenepiperidin-1-yl)-3-(pyridin-4-ylmethoxy)propan-2-ol

C27H30N2O2 — CID 139685751

IUPAC1-(4-benzhydrylidenepiperidin-1-yl)-3-(pyridin-4-ylmethoxy)propan-2-ol
SMILESOC(COCc1ccncc1)CN1CCC(=C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C27H30N2O2/c30-26(21-31-20-22-11-15-28-16-12-22)19-29-17-13-25(14-18-29)27(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-12,15-16,26,30H,13-14,17-21H2
InChIKeyATIHIQWTKAYWOW-UHFFFAOYSA-N
MW414.55 g/mol
LogP4.56
Rot. Bonds8

About 1-(4-benzhydrylidenepiperidin-1-yl)-3-(pyridin-4-ylmethoxy)propan-2-ol

1-(4-benzhydrylidenepiperidin-1-yl)-3-(pyridin-4-ylmethoxy)propan-2-ol (PubChem CID 139685751) has the molecular formula C27H30N2O2 and a molecular weight of 414.55 g/mol. Its IUPAC name is 1-(4-benzhydrylidenepiperidin-1-yl)-3-(pyridin-4-ylmethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(4-benzhydrylidenepiperidin-1-yl)-3-(pyridin-4-ylmethoxy)propan-2-ol
PubChem CID139685751
Molecular FormulaC27H30N2O2
Molecular Weight414.55 g/mol
Exact Mass414.23
IUPAC Name1-(4-benzhydrylidenepiperidin-1-yl)-3-(pyridin-4-ylmethoxy)propan-2-ol
SMILESOC(COCc1ccncc1)CN1CCC(=C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C27H30N2O2/c30-26(21-31-20-22-11-15-28-16-12-22)19-29-17-13-25(14-18-29)27(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-12,15-16,26,30H,13-14,17-21H2
InChIKeyATIHIQWTKAYWOW-UHFFFAOYSA-N
XLogP4.56
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-benzhydrylidenepiperidin-1-yl)-3-(pyridin-4-ylmethoxy)propan-2-ol with MolForge

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Related Compounds

4-[2-(4-benzhydrylidenepiperidin-1-yl)ethoxymethyl]pyridine
CID 139685650
1-(4-benzhydrylidenepiperidin-1-yl)-3-[(2-methoxy-3-pyridinyl)methoxy]propan-2-ol
CID 139685724
1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol chloride
CID 53346846
1-[(2S)-2-hydroxy-3-phenylmethoxypropyl]piperidin-4-one
CID 95357977
1-phenylmethoxy-3-piperidin-1-ylpropan-2-ol chloride
CID 21236635
(2S)-1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol
CID 740501
1-phenylmethoxy-3-piperidin-1-ylpropan-2-ol
CID 2769742
1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-phenylmethoxypropan-2-ol dichloride
CID 21236661
1-(2-hydroxy-3-phenylmethoxypropyl)piperidin-4-ol
CID 60632394
1-[(2R)-2-hydroxy-3-phenylmethoxypropyl]piperidin-4-ol
CID 95232047
1-(4-methylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol
CID 2834350
1-(4-benzylpiperazin-1-yl)-3-[(4-chlorophenyl)methoxy]propan-2-ol dichloride
CID 21237584

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzhydrylidenepiperidin-1-yl)-3-(pyridin-4-ylmethoxy)propan-2-ol?
The IUPAC name of 1-(4-benzhydrylidenepiperidin-1-yl)-3-(pyridin-4-ylmethoxy)propan-2-ol (CID 139685751) is 1-(4-benzhydrylidenepiperidin-1-yl)-3-(pyridin-4-ylmethoxy)propan-2-ol.
What is the SMILES notation for 1-(4-benzhydrylidenepiperidin-1-yl)-3-(pyridin-4-ylmethoxy)propan-2-ol?
The canonical SMILES for 1-(4-benzhydrylidenepiperidin-1-yl)-3-(pyridin-4-ylmethoxy)propan-2-ol is OC(COCc1ccncc1)CN1CCC(=C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-(4-benzhydrylidenepiperidin-1-yl)-3-(pyridin-4-ylmethoxy)propan-2-ol?
The InChIKey is ATIHIQWTKAYWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O2/c30-26(21-31-20-22-11-15-28-16-12-22)19-29-17-13-25(14-18-29)27(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-12,15-16,26,30H,13-14,17-21H2.
What are the key properties of 1-(4-benzhydrylidenepiperidin-1-yl)-3-(pyridin-4-ylmethoxy)propan-2-ol?
1-(4-benzhydrylidenepiperidin-1-yl)-3-(pyridin-4-ylmethoxy)propan-2-ol has a molecular weight of 414.55 g/mol, XLogP of 4.56, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzhydrylidenepiperidin-1-yl)-3-(pyridin-4-ylmethoxy)propan-2-ol is sourced from PubChem (CID 139685751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).