[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]-piperidin-3-ylmethanol;2,2,2-trifluoroacetic acid

C23H26F3NO4 — CID 167875289

IUPAC[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]-piperidin-3-ylmethanol;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.OC(c1ccc(-c2ccc3c(c2)CCCO3)cc1)C1CCCNC1
InChIInChI=1S/C21H25NO2.C2HF3O2/c23-21(19-3-1-11-22-14-19)16-7-5-15(6-8-16)17-9-10-20-18(13-17)4-2-12-24-20;3-2(4,5)1(6)7/h5-10,13,19,21-23H,1-4,11-12,14H2;(H,6,7)
InChIKeyANWNQHKPKMPMDZ-UHFFFAOYSA-N
MW437.46 g/mol
LogP4.34
Rot. Bonds3

About [4-(3,4-dihydro-2H-chromen-6-yl)phenyl]-piperidin-3-ylmethanol;2,2,2-trifluoroacetic acid

[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]-piperidin-3-ylmethanol;2,2,2-trifluoroacetic acid (PubChem CID 167875289) has the molecular formula C23H26F3NO4 and a molecular weight of 437.46 g/mol. Its IUPAC name is [4-(3,4-dihydro-2H-chromen-6-yl)phenyl]-piperidin-3-ylmethanol;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]-piperidin-3-ylmethanol;2,2,2-trifluoroacetic acid
PubChem CID167875289
Molecular FormulaC23H26F3NO4
Molecular Weight437.46 g/mol
Exact Mass437.18
IUPAC Name[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]-piperidin-3-ylmethanol;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.OC(c1ccc(-c2ccc3c(c2)CCCO3)cc1)C1CCCNC1
InChIInChI=1S/C21H25NO2.C2HF3O2/c23-21(19-3-1-11-22-14-19)16-7-5-15(6-8-16)17-9-10-20-18(13-17)4-2-12-24-20;3-2(4,5)1(6)7/h5-10,13,19,21-23H,1-4,11-12,14H2;(H,6,7)
InChIKeyANWNQHKPKMPMDZ-UHFFFAOYSA-N
XLogP4.34
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.46
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydro-1-benzofuran-5-yl(piperidin-3-yl)methanol
CID 43146492
[4-(6-methoxy-5-methyl-3-pyridinyl)phenyl]-piperidin-3-ylmethanol;2,2,2-trifluoroacetic acid
CID 167930935
6-[4-[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]phenyl]-3,4-dihydro-2H-chromene
CID 71339532
3-[3,4-dihydro-2H-1,5-benzodioxepin-7-yl(fluoro)methyl]piperidine
CID 112565451
N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119320936
(4-methylphenyl)-piperidin-3-ylmethanol
CID 43146496
6-(4-pentan-3-ylphenyl)-3,4-dihydro-2H-chromene
CID 126760659
2,3-dihydro-1-benzofuran-5-yl(piperidin-4-yl)methanol
CID 43146493
N-[[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119308776
2-(4-phenylphenyl)-2-[(3R)-piperidin-3-yl]acetic acid
CID 91550438
1-[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]-N-methylethanamine
CID 61032925
2-chloro-5-(3,4-dihydro-2H-chromen-6-yl)benzoic acid
CID 61026274

Frequently Asked Questions

What is the IUPAC name of [4-(3,4-dihydro-2H-chromen-6-yl)phenyl]-piperidin-3-ylmethanol;2,2,2-trifluoroacetic acid?
The IUPAC name of [4-(3,4-dihydro-2H-chromen-6-yl)phenyl]-piperidin-3-ylmethanol;2,2,2-trifluoroacetic acid (CID 167875289) is [4-(3,4-dihydro-2H-chromen-6-yl)phenyl]-piperidin-3-ylmethanol;2,2,2-trifluoroacetic acid.
What is the SMILES notation for [4-(3,4-dihydro-2H-chromen-6-yl)phenyl]-piperidin-3-ylmethanol;2,2,2-trifluoroacetic acid?
The canonical SMILES for [4-(3,4-dihydro-2H-chromen-6-yl)phenyl]-piperidin-3-ylmethanol;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.OC(c1ccc(-c2ccc3c(c2)CCCO3)cc1)C1CCCNC1.
What is the InChIKey of [4-(3,4-dihydro-2H-chromen-6-yl)phenyl]-piperidin-3-ylmethanol;2,2,2-trifluoroacetic acid?
The InChIKey is ANWNQHKPKMPMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2.C2HF3O2/c23-21(19-3-1-11-22-14-19)16-7-5-15(6-8-16)17-9-10-20-18(13-17)4-2-12-24-20;3-2(4,5)1(6)7/h5-10,13,19,21-23H,1-4,11-12,14H2;(H,6,7).
What are the key properties of [4-(3,4-dihydro-2H-chromen-6-yl)phenyl]-piperidin-3-ylmethanol;2,2,2-trifluoroacetic acid?
[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]-piperidin-3-ylmethanol;2,2,2-trifluoroacetic acid has a molecular weight of 437.46 g/mol, XLogP of 4.34, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-dihydro-2H-chromen-6-yl)phenyl]-piperidin-3-ylmethanol;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 167875289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).