6-amino-3,4-dihydro-1H-naphthalen-2-one;[1-(2-chloro-5-fluoropyrimidin-4-yl)piperidin-4-yl]methanol;2,4-dichloro-5-fluoropyrimidine;6-[[5-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]pyrimidin-2-yl]amino]-3,4-dihydro-1H-naphthalen-2-one;piperidin-4-ylmethanol

C50H61Cl3F3N11O5 — CID 159285437

IUPAC6-amino-3,4-dihydro-1H-naphthalen-2-one;[1-(2-chloro-5-fluoropyrimidin-4-yl)piperidin-4-yl]methanol;2,4-dichloro-5-fluoropyrimidine;6-[[5-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]pyrimidin-2-yl]amino]-3,4-dihydro-1H-naphthalen-2-one;piperidin-4-ylmethanol
SMILESFc1cnc(Cl)nc1Cl.Nc1ccc2c(c1)CCC(=O)C2.O=C1CCc2cc(Nc3ncc(F)c(N4CCC(CO)CC4)n3)ccc2C1.OCC1CCN(c2nc(Cl)ncc2F)CC1.OCC1CCNCC1
InChIInChI=1S/C20H23FN4O2.C10H13ClFN3O.C10H11NO.C6H13NO.C4HCl2FN2/c21-18-11-22-20(24-19(18)25-7-5-13(12-26)6-8-25)23-16-3-1-15-10-17(27)4-2-14(15)9-16;11-10-13-5-8(12)9(14-10)15-3-1-7(6-16)2-4-15;11-9-3-1-8-6-10(12)4-2-7(8)5-9;8-5-6-1-3-7-4-2-6;5-3-2(7)1-8-4(6)9-3/h1,3,9,11,13,26H,2,4-8,10,12H2,(H,22,23,24);5,7,16H,1-4,6H2;1,3,5H,2,4,6,11H2;6-8H,1-5H2;1H
InChIKeyKZLJJIYHHCRJJE-UHFFFAOYSA-N
MW1059.46 g/mol
LogP7.33
Rot. Bonds7

About 6-amino-3,4-dihydro-1H-naphthalen-2-one;[1-(2-chloro-5-fluoropyrimidin-4-yl)piperidin-4-yl]methanol;2,4-dichloro-5-fluoropyrimidine;6-[[5-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]pyrimidin-2-yl]amino]-3,4-dihydro-1H-naphthalen-2-one;piperidin-4-ylmethanol

6-amino-3,4-dihydro-1H-naphthalen-2-one;[1-(2-chloro-5-fluoropyrimidin-4-yl)piperidin-4-yl]methanol;2,4-dichloro-5-fluoropyrimidine;6-[[5-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]pyrimidin-2-yl]amino]-3,4-dihydro-1H-naphthalen-2-one;piperidin-4-ylmethanol (PubChem CID 159285437) has the molecular formula C50H61Cl3F3N11O5 and a molecular weight of 1059.46 g/mol. Its IUPAC name is 6-amino-3,4-dihydro-1H-naphthalen-2-one;[1-(2-chloro-5-fluoropyrimidin-4-yl)piperidin-4-yl]methanol;2,4-dichloro-5-fluoropyrimidine;6-[[5-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]pyrimidin-2-yl]amino]-3,4-dihydro-1H-naphthalen-2-one;piperidin-4-ylmethanol.

Molecular Properties

Compound Name6-amino-3,4-dihydro-1H-naphthalen-2-one;[1-(2-chloro-5-fluoropyrimidin-4-yl)piperidin-4-yl]methanol;2,4-dichloro-5-fluoropyrimidine;6-[[5-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]pyrimidin-2-yl]amino]-3,4-dihydro-1H-naphthalen-2-one;piperidin-4-ylmethanol
PubChem CID159285437
Molecular FormulaC50H61Cl3F3N11O5
Molecular Weight1059.46 g/mol
Exact Mass1057.39
IUPAC Name6-amino-3,4-dihydro-1H-naphthalen-2-one;[1-(2-chloro-5-fluoropyrimidin-4-yl)piperidin-4-yl]methanol;2,4-dichloro-5-fluoropyrimidine;6-[[5-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]pyrimidin-2-yl]amino]-3,4-dihydro-1H-naphthalen-2-one;piperidin-4-ylmethanol
SMILESFc1cnc(Cl)nc1Cl.Nc1ccc2c(c1)CCC(=O)C2.O=C1CCc2cc(Nc3ncc(F)c(N4CCC(CO)CC4)n3)ccc2C1.OCC1CCN(c2nc(Cl)ncc2F)CC1.OCC1CCNCC1
InChIInChI=1S/C20H23FN4O2.C10H13ClFN3O.C10H11NO.C6H13NO.C4HCl2FN2/c21-18-11-22-20(24-19(18)25-7-5-13(12-26)6-8-25)23-16-3-1-15-10-17(27)4-2-14(15)9-16;11-10-13-5-8(12)9(14-10)15-3-1-7(6-16)2-4-15;11-9-3-1-8-6-10(12)4-2-7(8)5-9;8-5-6-1-3-7-4-2-6;5-3-2(7)1-8-4(6)9-3/h1,3,9,11,13,26H,2,4-8,10,12H2,(H,22,23,24);5,7,16H,1-4,6H2;1,3,5H,2,4,6,11H2;6-8H,1-5H2;1H
InChIKeyKZLJJIYHHCRJJE-UHFFFAOYSA-N
XLogP7.33
TPSA228.73 Ų
H-Bond Donors6
H-Bond Acceptors16
Rotatable Bonds7
Heavy Atoms72
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001059.46
LogP ≤ 57.33
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 6-amino-3,4-dihydro-1H-naphthalen-2-one;[1-(2-chloro-5-fluoropyrimidin-4-yl)piperidin-4-yl]methanol;2,4-dichloro-5-fluoropyrimidine;6-[[5-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]pyrimidin-2-yl]amino]-3,4-dihydro-1H-naphthalen-2-one;piperidin-4-ylmethanol with MolForge

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Related Compounds

6-[[4-[4-(aminomethyl)piperidin-1-yl]-5-bromopyrimidin-2-yl]amino]-3,4-dihydro-1H-naphthalen-2-one
CID 159668012
4-[4-(aminomethyl)piperidin-1-yl]-5-fluoro-N-(3-methoxy-4,5-dimethylphenyl)pyrimidin-2-amine;tert-butyl N-[[1-(2-chloro-5-fluoropyrimidin-4-yl)piperidin-4-yl]methyl]carbamate;tert-butyl N-(piperidin-4-ylmethyl)carbamate;2,4-dichloro-5-fluoropyrimidine;3-methoxy-4,5-dimethylaniline
CID 158880391
N,2-bis(2-chloro-5-fluoropyrimidin-4-yl)-3,4-dihydro-1H-isoquinolin-7-amine
CID 22060957
9-chloro-5,11-dimethyl-2-[(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)amino]pyrimido[4,5-b][1,4]benzodiazepin-6-one
CID 162026501
2-chloro-5-fluoro-4-piperazin-1-ylpyrimidine
CID 53393355
4-(cyclobutylamino)-2-[(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)amino]pyrimidine-5-carboxamide
CID 153028738
4-N-(3-aminophenyl)-5-fluoro-2-N-[4-[(1-methylpiperidin-4-yl)methoxy]phenyl]pyrimidine-2,4-diamine
CID 59174590
[1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methanol
CID 112629584
4-[4-[[5-chloro-4-(3-chloro-1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-2-fluorophenyl]morpholin-3-one
CID 178013180
[1-[2-[4-[acetyl(methyl)amino]anilino]-5-fluoropyrimidin-4-yl]piperidin-4-yl]methylcarbamic acid
CID 68994446
4-tert-butyl-N-[1-[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]pyrrolidin-3-yl]benzamide
CID 135370188
4-[4-(aminomethyl)piperidin-1-yl]-5-fluoro-N-(3-methoxy-4,5-dimethylphenyl)pyrimidin-2-amine
CID 71242124

Frequently Asked Questions

What is the IUPAC name of 6-amino-3,4-dihydro-1H-naphthalen-2-one;[1-(2-chloro-5-fluoropyrimidin-4-yl)piperidin-4-yl]methanol;2,4-dichloro-5-fluoropyrimidine;6-[[5-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]pyrimidin-2-yl]amino]-3,4-dihydro-1H-naphthalen-2-one;piperidin-4-ylmethanol?
The IUPAC name of 6-amino-3,4-dihydro-1H-naphthalen-2-one;[1-(2-chloro-5-fluoropyrimidin-4-yl)piperidin-4-yl]methanol;2,4-dichloro-5-fluoropyrimidine;6-[[5-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]pyrimidin-2-yl]amino]-3,4-dihydro-1H-naphthalen-2-one;piperidin-4-ylmethanol (CID 159285437) is 6-amino-3,4-dihydro-1H-naphthalen-2-one;[1-(2-chloro-5-fluoropyrimidin-4-yl)piperidin-4-yl]methanol;2,4-dichloro-5-fluoropyrimidine;6-[[5-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]pyrimidin-2-yl]amino]-3,4-dihydro-1H-naphthalen-2-one;piperidin-4-ylmethanol.
What is the SMILES notation for 6-amino-3,4-dihydro-1H-naphthalen-2-one;[1-(2-chloro-5-fluoropyrimidin-4-yl)piperidin-4-yl]methanol;2,4-dichloro-5-fluoropyrimidine;6-[[5-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]pyrimidin-2-yl]amino]-3,4-dihydro-1H-naphthalen-2-one;piperidin-4-ylmethanol?
The canonical SMILES for 6-amino-3,4-dihydro-1H-naphthalen-2-one;[1-(2-chloro-5-fluoropyrimidin-4-yl)piperidin-4-yl]methanol;2,4-dichloro-5-fluoropyrimidine;6-[[5-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]pyrimidin-2-yl]amino]-3,4-dihydro-1H-naphthalen-2-one;piperidin-4-ylmethanol is Fc1cnc(Cl)nc1Cl.Nc1ccc2c(c1)CCC(=O)C2.O=C1CCc2cc(Nc3ncc(F)c(N4CCC(CO)CC4)n3)ccc2C1.OCC1CCN(c2nc(Cl)ncc2F)CC1.OCC1CCNCC1.
What is the InChIKey of 6-amino-3,4-dihydro-1H-naphthalen-2-one;[1-(2-chloro-5-fluoropyrimidin-4-yl)piperidin-4-yl]methanol;2,4-dichloro-5-fluoropyrimidine;6-[[5-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]pyrimidin-2-yl]amino]-3,4-dihydro-1H-naphthalen-2-one;piperidin-4-ylmethanol?
The InChIKey is KZLJJIYHHCRJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O2.C10H13ClFN3O.C10H11NO.C6H13NO.C4HCl2FN2/c21-18-11-22-20(24-19(18)25-7-5-13(12-26)6-8-25)23-16-3-1-15-10-17(27)4-2-14(15)9-16;11-10-13-5-8(12)9(14-10)15-3-1-7(6-16)2-4-15;11-9-3-1-8-6-10(12)4-2-7(8)5-9;8-5-6-1-3-7-4-2-6;5-3-2(7)1-8-4(6)9-3/h1,3,9,11,13,26H,2,4-8,10,12H2,(H,22,23,24);5,7,16H,1-4,6H2;1,3,5H,2,4,6,11H2;6-8H,1-5H2;1H.
What are the key properties of 6-amino-3,4-dihydro-1H-naphthalen-2-one;[1-(2-chloro-5-fluoropyrimidin-4-yl)piperidin-4-yl]methanol;2,4-dichloro-5-fluoropyrimidine;6-[[5-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]pyrimidin-2-yl]amino]-3,4-dihydro-1H-naphthalen-2-one;piperidin-4-ylmethanol?
6-amino-3,4-dihydro-1H-naphthalen-2-one;[1-(2-chloro-5-fluoropyrimidin-4-yl)piperidin-4-yl]methanol;2,4-dichloro-5-fluoropyrimidine;6-[[5-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]pyrimidin-2-yl]amino]-3,4-dihydro-1H-naphthalen-2-one;piperidin-4-ylmethanol has a molecular weight of 1059.46 g/mol, XLogP of 7.33, 7 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3,4-dihydro-1H-naphthalen-2-one;[1-(2-chloro-5-fluoropyrimidin-4-yl)piperidin-4-yl]methanol;2,4-dichloro-5-fluoropyrimidine;6-[[5-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]pyrimidin-2-yl]amino]-3,4-dihydro-1H-naphthalen-2-one;piperidin-4-ylmethanol is sourced from PubChem (CID 159285437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).