piperidine;4-[(4S)-2,2,4-trimethyl-3H-chromen-4-yl]phenol

C23H31NO2 — CID 139194384

IUPACpiperidine;4-[(4S)-2,2,4-trimethyl-3H-chromen-4-yl]phenol
SMILESC1CCNCC1.CC1(C)C[C@@](C)(c2ccc(O)cc2)c2ccccc2O1
InChIInChI=1S/C18H20O2.C5H11N/c1-17(2)12-18(3,13-8-10-14(19)11-9-13)15-6-4-5-7-16(15)20-17;1-2-4-6-5-3-1/h4-11,19H,12H2,1-3H3;6H,1-5H2/t18-;/m0./s1
InChIKeyZTJUXZJFYKFPOO-FERBBOLQSA-N
MW353.51 g/mol
LogP5.02
Rot. Bonds1

About piperidine;4-[(4S)-2,2,4-trimethyl-3H-chromen-4-yl]phenol

piperidine;4-[(4S)-2,2,4-trimethyl-3H-chromen-4-yl]phenol (PubChem CID 139194384) has the molecular formula C23H31NO2 and a molecular weight of 353.51 g/mol. Its IUPAC name is piperidine;4-[(4S)-2,2,4-trimethyl-3H-chromen-4-yl]phenol.

Molecular Properties

Compound Namepiperidine;4-[(4S)-2,2,4-trimethyl-3H-chromen-4-yl]phenol
PubChem CID139194384
Molecular FormulaC23H31NO2
Molecular Weight353.51 g/mol
Exact Mass353.24
IUPAC Namepiperidine;4-[(4S)-2,2,4-trimethyl-3H-chromen-4-yl]phenol
SMILESC1CCNCC1.CC1(C)C[C@@](C)(c2ccc(O)cc2)c2ccccc2O1
InChIInChI=1S/C18H20O2.C5H11N/c1-17(2)12-18(3,13-8-10-14(19)11-9-13)15-6-4-5-7-16(15)20-17;1-2-4-6-5-3-1/h4-11,19H,12H2,1-3H3;6H,1-5H2/t18-;/m0./s1
InChIKeyZTJUXZJFYKFPOO-FERBBOLQSA-N
XLogP5.02
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.51
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of piperidine;4-[(4S)-2,2,4-trimethyl-3H-chromen-4-yl]phenol?
The IUPAC name of piperidine;4-[(4S)-2,2,4-trimethyl-3H-chromen-4-yl]phenol (CID 139194384) is piperidine;4-[(4S)-2,2,4-trimethyl-3H-chromen-4-yl]phenol.
What is the SMILES notation for piperidine;4-[(4S)-2,2,4-trimethyl-3H-chromen-4-yl]phenol?
The canonical SMILES for piperidine;4-[(4S)-2,2,4-trimethyl-3H-chromen-4-yl]phenol is C1CCNCC1.CC1(C)C[C@@](C)(c2ccc(O)cc2)c2ccccc2O1.
What is the InChIKey of piperidine;4-[(4S)-2,2,4-trimethyl-3H-chromen-4-yl]phenol?
The InChIKey is ZTJUXZJFYKFPOO-FERBBOLQSA-N. The full InChI is InChI=1S/C18H20O2.C5H11N/c1-17(2)12-18(3,13-8-10-14(19)11-9-13)15-6-4-5-7-16(15)20-17;1-2-4-6-5-3-1/h4-11,19H,12H2,1-3H3;6H,1-5H2/t18-;/m0./s1.
What are the key properties of piperidine;4-[(4S)-2,2,4-trimethyl-3H-chromen-4-yl]phenol?
piperidine;4-[(4S)-2,2,4-trimethyl-3H-chromen-4-yl]phenol has a molecular weight of 353.51 g/mol, XLogP of 5.02, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidine;4-[(4S)-2,2,4-trimethyl-3H-chromen-4-yl]phenol is sourced from PubChem (CID 139194384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).