diphenylmethanol;2,5,7,8-tetramethyl-2-(2-piperazin-1-ylethyl)-3,4-dihydrochromen-6-ol;hydrochloride

C32H43ClN2O3 — CID 67799476

IUPACdiphenylmethanol;2,5,7,8-tetramethyl-2-(2-piperazin-1-ylethyl)-3,4-dihydrochromen-6-ol;hydrochloride
SMILESCc1c(C)c2c(c(C)c1O)CCC(C)(CCN1CCNCC1)O2.Cl.OC(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H30N2O2.C13H12O.ClH/c1-13-14(2)18-16(15(3)17(13)22)5-6-19(4,23-18)7-10-21-11-8-20-9-12-21;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h20,22H,5-12H2,1-4H3;1-10,13-14H;1H
InChIKeyBKSBKBQTUJZRDA-UHFFFAOYSA-N
MW539.16 g/mol
LogP5.89
Rot. Bonds5

About diphenylmethanol;2,5,7,8-tetramethyl-2-(2-piperazin-1-ylethyl)-3,4-dihydrochromen-6-ol;hydrochloride

diphenylmethanol;2,5,7,8-tetramethyl-2-(2-piperazin-1-ylethyl)-3,4-dihydrochromen-6-ol;hydrochloride (PubChem CID 67799476) has the molecular formula C32H43ClN2O3 and a molecular weight of 539.16 g/mol. Its IUPAC name is diphenylmethanol;2,5,7,8-tetramethyl-2-(2-piperazin-1-ylethyl)-3,4-dihydrochromen-6-ol;hydrochloride.

Molecular Properties

Compound Namediphenylmethanol;2,5,7,8-tetramethyl-2-(2-piperazin-1-ylethyl)-3,4-dihydrochromen-6-ol;hydrochloride
PubChem CID67799476
Molecular FormulaC32H43ClN2O3
Molecular Weight539.16 g/mol
Exact Mass538.30
IUPAC Namediphenylmethanol;2,5,7,8-tetramethyl-2-(2-piperazin-1-ylethyl)-3,4-dihydrochromen-6-ol;hydrochloride
SMILESCc1c(C)c2c(c(C)c1O)CCC(C)(CCN1CCNCC1)O2.Cl.OC(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H30N2O2.C13H12O.ClH/c1-13-14(2)18-16(15(3)17(13)22)5-6-19(4,23-18)7-10-21-11-8-20-9-12-21;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h20,22H,5-12H2,1-4H3;1-10,13-14H;1H
InChIKeyBKSBKBQTUJZRDA-UHFFFAOYSA-N
XLogP5.89
TPSA64.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.16
LogP ≤ 55.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze diphenylmethanol;2,5,7,8-tetramethyl-2-(2-piperazin-1-ylethyl)-3,4-dihydrochromen-6-ol;hydrochloride with MolForge

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Related Compounds

2-[2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]ethyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol
CID 139676959
N-[3-[4-[2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethyl]piperazin-1-yl]propyl]-3-phenylprop-2-enamide
CID 70385298
(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-piperazin-1-ylmethanone;hydrochloride
CID 72950434
(2R)-2,5,7,8-tetramethyl-2-[9-(triazol-2-yl)nonyl]-3,4-dihydrochromen-6-ol
CID 25119045
calcium;hydride;(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol
CID 173034485
2-[4-(diaminomethylideneamino)phenyl]-4-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)butanoic acid;hydrochloride
CID 67818092
2-(4,8-dimethyldodecyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol
CID 20758468
2,5,7,8-tetramethyl-2-(5,10,14-trimethylpentadecyl)-3,4-dihydrochromen-6-ol
CID 123549807
2-[(N-butylanilino)methyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol
CID 19024077
2,5,7,8-tetramethyl-2-[(pyridin-4-ylamino)methyl]-3,4-dihydrochromen-6-ol
CID 10380818
2,5,7,8-tetramethyl-2-[(pyridin-2-ylmethylamino)methyl]-3,4-dihydrochromen-6-ol
CID 54470679
(E)-but-2-enedioic acid;(2R)-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-ol
CID 174773601

Frequently Asked Questions

What is the IUPAC name of diphenylmethanol;2,5,7,8-tetramethyl-2-(2-piperazin-1-ylethyl)-3,4-dihydrochromen-6-ol;hydrochloride?
The IUPAC name of diphenylmethanol;2,5,7,8-tetramethyl-2-(2-piperazin-1-ylethyl)-3,4-dihydrochromen-6-ol;hydrochloride (CID 67799476) is diphenylmethanol;2,5,7,8-tetramethyl-2-(2-piperazin-1-ylethyl)-3,4-dihydrochromen-6-ol;hydrochloride.
What is the SMILES notation for diphenylmethanol;2,5,7,8-tetramethyl-2-(2-piperazin-1-ylethyl)-3,4-dihydrochromen-6-ol;hydrochloride?
The canonical SMILES for diphenylmethanol;2,5,7,8-tetramethyl-2-(2-piperazin-1-ylethyl)-3,4-dihydrochromen-6-ol;hydrochloride is Cc1c(C)c2c(c(C)c1O)CCC(C)(CCN1CCNCC1)O2.Cl.OC(c1ccccc1)c1ccccc1.
What is the InChIKey of diphenylmethanol;2,5,7,8-tetramethyl-2-(2-piperazin-1-ylethyl)-3,4-dihydrochromen-6-ol;hydrochloride?
The InChIKey is BKSBKBQTUJZRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2.C13H12O.ClH/c1-13-14(2)18-16(15(3)17(13)22)5-6-19(4,23-18)7-10-21-11-8-20-9-12-21;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h20,22H,5-12H2,1-4H3;1-10,13-14H;1H.
What are the key properties of diphenylmethanol;2,5,7,8-tetramethyl-2-(2-piperazin-1-ylethyl)-3,4-dihydrochromen-6-ol;hydrochloride?
diphenylmethanol;2,5,7,8-tetramethyl-2-(2-piperazin-1-ylethyl)-3,4-dihydrochromen-6-ol;hydrochloride has a molecular weight of 539.16 g/mol, XLogP of 5.89, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylmethanol;2,5,7,8-tetramethyl-2-(2-piperazin-1-ylethyl)-3,4-dihydrochromen-6-ol;hydrochloride is sourced from PubChem (CID 67799476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).