(3R,4S)-3-(4-phenylpiperidin-1-yl)-3,4-dihydro-2H-chromene-4,7-diol

C20H23NO3 — CID 10592154

IUPAC(3R,4S)-3-(4-phenylpiperidin-1-yl)-3,4-dihydro-2H-chromene-4,7-diol
SMILESOc1ccc2c(c1)OC[C@@H](N1CCC(c3ccccc3)CC1)[C@H]2O
InChIInChI=1S/C20H23NO3/c22-16-6-7-17-19(12-16)24-13-18(20(17)23)21-10-8-15(9-11-21)14-4-2-1-3-5-14/h1-7,12,15,18,20,22-23H,8-11,13H2/t18-,20+/m1/s1
InChIKeyINZMNXOELSZFKY-QUCCMNQESA-N
MW325.41 g/mol
LogP3.07
Rot. Bonds2

About (3R,4S)-3-(4-phenylpiperidin-1-yl)-3,4-dihydro-2H-chromene-4,7-diol

(3R,4S)-3-(4-phenylpiperidin-1-yl)-3,4-dihydro-2H-chromene-4,7-diol (PubChem CID 10592154) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is (3R,4S)-3-(4-phenylpiperidin-1-yl)-3,4-dihydro-2H-chromene-4,7-diol.

Molecular Properties

Compound Name(3R,4S)-3-(4-phenylpiperidin-1-yl)-3,4-dihydro-2H-chromene-4,7-diol
PubChem CID10592154
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name(3R,4S)-3-(4-phenylpiperidin-1-yl)-3,4-dihydro-2H-chromene-4,7-diol
SMILESOc1ccc2c(c1)OC[C@@H](N1CCC(c3ccccc3)CC1)[C@H]2O
InChIInChI=1S/C20H23NO3/c22-16-6-7-17-19(12-16)24-13-18(20(17)23)21-10-8-15(9-11-21)14-4-2-1-3-5-14/h1-7,12,15,18,20,22-23H,8-11,13H2/t18-,20+/m1/s1
InChIKeyINZMNXOELSZFKY-QUCCMNQESA-N
XLogP3.07
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-(4-phenylpiperidin-1-yl)-3,4-dihydro-2H-chromene-4,7-diol?
The IUPAC name of (3R,4S)-3-(4-phenylpiperidin-1-yl)-3,4-dihydro-2H-chromene-4,7-diol (CID 10592154) is (3R,4S)-3-(4-phenylpiperidin-1-yl)-3,4-dihydro-2H-chromene-4,7-diol.
What is the SMILES notation for (3R,4S)-3-(4-phenylpiperidin-1-yl)-3,4-dihydro-2H-chromene-4,7-diol?
The canonical SMILES for (3R,4S)-3-(4-phenylpiperidin-1-yl)-3,4-dihydro-2H-chromene-4,7-diol is Oc1ccc2c(c1)OC[C@@H](N1CCC(c3ccccc3)CC1)[C@H]2O.
What is the InChIKey of (3R,4S)-3-(4-phenylpiperidin-1-yl)-3,4-dihydro-2H-chromene-4,7-diol?
The InChIKey is INZMNXOELSZFKY-QUCCMNQESA-N. The full InChI is InChI=1S/C20H23NO3/c22-16-6-7-17-19(12-16)24-13-18(20(17)23)21-10-8-15(9-11-21)14-4-2-1-3-5-14/h1-7,12,15,18,20,22-23H,8-11,13H2/t18-,20+/m1/s1.
What are the key properties of (3R,4S)-3-(4-phenylpiperidin-1-yl)-3,4-dihydro-2H-chromene-4,7-diol?
(3R,4S)-3-(4-phenylpiperidin-1-yl)-3,4-dihydro-2H-chromene-4,7-diol has a molecular weight of 325.41 g/mol, XLogP of 3.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-(4-phenylpiperidin-1-yl)-3,4-dihydro-2H-chromene-4,7-diol is sourced from PubChem (CID 10592154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).