4-[(4-fluorophenyl)methoxymethyl]-1-propan-2-ylpiperidine;methane;4-(4-methylphenyl)-1-propan-2-ylpiperidine;4-(phenylmethoxymethyl)-1-propan-2-ylpiperidine;4-phenyl-1-propan-2-ylpiperidine;1-phenyl-3-(1-propan-2-ylpiperidin-4-yl)propan-2-ol

C82H136FN5O3 — CID 159772123

IUPAC4-[(4-fluorophenyl)methoxymethyl]-1-propan-2-ylpiperidine;methane;4-(4-methylphenyl)-1-propan-2-ylpiperidine;4-(phenylmethoxymethyl)-1-propan-2-ylpiperidine;4-phenyl-1-propan-2-ylpiperidine;1-phenyl-3-(1-propan-2-ylpiperidin-4-yl)propan-2-ol
SMILESC.C.C.C.CC(C)N1CCC(CC(O)Cc2ccccc2)CC1.CC(C)N1CCC(COCc2ccc(F)cc2)CC1.CC(C)N1CCC(COCc2ccccc2)CC1.CC(C)N1CCC(c2ccccc2)CC1.Cc1ccc(C2CCN(C(C)C)CC2)cc1
InChIInChI=1S/C17H27NO.C16H24FNO.C16H25NO.C15H23N.C14H21N.4CH4/c1-14(2)18-10-8-16(9-11-18)13-17(19)12-15-6-4-3-5-7-15;1-13(2)18-9-7-15(8-10-18)12-19-11-14-3-5-16(17)6-4-14;1-14(2)17-10-8-16(9-11-17)13-18-12-15-6-4-3-5-7-15;1-12(2)16-10-8-15(9-11-16)14-6-4-13(3)5-7-14;1-12(2)15-10-8-14(9-11-15)13-6-4-3-5-7-13;;;;/h3-7,14,16-17,19H,8-13H2,1-2H3;3-6,13,15H,7-12H2,1-2H3;3-7,14,16H,8-13H2,1-2H3;4-7,12,15H,8-11H2,1-3H3;3-7,12,14H,8-11H2,1-2H3;4*1H4
InChIKeyNGGCUVSABQVMCD-UHFFFAOYSA-N
MW1259.02 g/mol
LogP19.29
Rot. Bonds19

About 4-[(4-fluorophenyl)methoxymethyl]-1-propan-2-ylpiperidine;methane;4-(4-methylphenyl)-1-propan-2-ylpiperidine;4-(phenylmethoxymethyl)-1-propan-2-ylpiperidine;4-phenyl-1-propan-2-ylpiperidine;1-phenyl-3-(1-propan-2-ylpiperidin-4-yl)propan-2-ol

4-[(4-fluorophenyl)methoxymethyl]-1-propan-2-ylpiperidine;methane;4-(4-methylphenyl)-1-propan-2-ylpiperidine;4-(phenylmethoxymethyl)-1-propan-2-ylpiperidine;4-phenyl-1-propan-2-ylpiperidine;1-phenyl-3-(1-propan-2-ylpiperidin-4-yl)propan-2-ol (PubChem CID 159772123) has the molecular formula C82H136FN5O3 and a molecular weight of 1259.02 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methoxymethyl]-1-propan-2-ylpiperidine;methane;4-(4-methylphenyl)-1-propan-2-ylpiperidine;4-(phenylmethoxymethyl)-1-propan-2-ylpiperidine;4-phenyl-1-propan-2-ylpiperidine;1-phenyl-3-(1-propan-2-ylpiperidin-4-yl)propan-2-ol.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methoxymethyl]-1-propan-2-ylpiperidine;methane;4-(4-methylphenyl)-1-propan-2-ylpiperidine;4-(phenylmethoxymethyl)-1-propan-2-ylpiperidine;4-phenyl-1-propan-2-ylpiperidine;1-phenyl-3-(1-propan-2-ylpiperidin-4-yl)propan-2-ol
PubChem CID159772123
Molecular FormulaC82H136FN5O3
Molecular Weight1259.02 g/mol
Exact Mass1258.06
IUPAC Name4-[(4-fluorophenyl)methoxymethyl]-1-propan-2-ylpiperidine;methane;4-(4-methylphenyl)-1-propan-2-ylpiperidine;4-(phenylmethoxymethyl)-1-propan-2-ylpiperidine;4-phenyl-1-propan-2-ylpiperidine;1-phenyl-3-(1-propan-2-ylpiperidin-4-yl)propan-2-ol
SMILESC.C.C.C.CC(C)N1CCC(CC(O)Cc2ccccc2)CC1.CC(C)N1CCC(COCc2ccc(F)cc2)CC1.CC(C)N1CCC(COCc2ccccc2)CC1.CC(C)N1CCC(c2ccccc2)CC1.Cc1ccc(C2CCN(C(C)C)CC2)cc1
InChIInChI=1S/C17H27NO.C16H24FNO.C16H25NO.C15H23N.C14H21N.4CH4/c1-14(2)18-10-8-16(9-11-18)13-17(19)12-15-6-4-3-5-7-15;1-13(2)18-9-7-15(8-10-18)12-19-11-14-3-5-16(17)6-4-14;1-14(2)17-10-8-16(9-11-17)13-18-12-15-6-4-3-5-7-15;1-12(2)16-10-8-15(9-11-16)14-6-4-13(3)5-7-14;1-12(2)15-10-8-14(9-11-15)13-6-4-3-5-7-13;;;;/h3-7,14,16-17,19H,8-13H2,1-2H3;3-6,13,15H,7-12H2,1-2H3;3-7,14,16H,8-13H2,1-2H3;4-7,12,15H,8-11H2,1-3H3;3-7,12,14H,8-11H2,1-2H3;4*1H4
InChIKeyNGGCUVSABQVMCD-UHFFFAOYSA-N
XLogP19.29
TPSA54.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds19
Heavy Atoms91
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001259.02
LogP ≤ 519.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[(4-fluorophenyl)methoxymethyl]-1-propan-2-ylpiperidine;methane;4-(4-methylphenyl)-1-propan-2-ylpiperidine;4-(phenylmethoxymethyl)-1-propan-2-ylpiperidine;4-phenyl-1-propan-2-ylpiperidine;1-phenyl-3-(1-propan-2-ylpiperidin-4-yl)propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methoxymethyl]-1-propan-2-ylpiperidine;methane;4-(4-methylphenyl)-1-propan-2-ylpiperidine;4-(phenylmethoxymethyl)-1-propan-2-ylpiperidine;4-phenyl-1-propan-2-ylpiperidine;1-phenyl-3-(1-propan-2-ylpiperidin-4-yl)propan-2-ol?
The IUPAC name of 4-[(4-fluorophenyl)methoxymethyl]-1-propan-2-ylpiperidine;methane;4-(4-methylphenyl)-1-propan-2-ylpiperidine;4-(phenylmethoxymethyl)-1-propan-2-ylpiperidine;4-phenyl-1-propan-2-ylpiperidine;1-phenyl-3-(1-propan-2-ylpiperidin-4-yl)propan-2-ol (CID 159772123) is 4-[(4-fluorophenyl)methoxymethyl]-1-propan-2-ylpiperidine;methane;4-(4-methylphenyl)-1-propan-2-ylpiperidine;4-(phenylmethoxymethyl)-1-propan-2-ylpiperidine;4-phenyl-1-propan-2-ylpiperidine;1-phenyl-3-(1-propan-2-ylpiperidin-4-yl)propan-2-ol.
What is the SMILES notation for 4-[(4-fluorophenyl)methoxymethyl]-1-propan-2-ylpiperidine;methane;4-(4-methylphenyl)-1-propan-2-ylpiperidine;4-(phenylmethoxymethyl)-1-propan-2-ylpiperidine;4-phenyl-1-propan-2-ylpiperidine;1-phenyl-3-(1-propan-2-ylpiperidin-4-yl)propan-2-ol?
The canonical SMILES for 4-[(4-fluorophenyl)methoxymethyl]-1-propan-2-ylpiperidine;methane;4-(4-methylphenyl)-1-propan-2-ylpiperidine;4-(phenylmethoxymethyl)-1-propan-2-ylpiperidine;4-phenyl-1-propan-2-ylpiperidine;1-phenyl-3-(1-propan-2-ylpiperidin-4-yl)propan-2-ol is C.C.C.C.CC(C)N1CCC(CC(O)Cc2ccccc2)CC1.CC(C)N1CCC(COCc2ccc(F)cc2)CC1.CC(C)N1CCC(COCc2ccccc2)CC1.CC(C)N1CCC(c2ccccc2)CC1.Cc1ccc(C2CCN(C(C)C)CC2)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)methoxymethyl]-1-propan-2-ylpiperidine;methane;4-(4-methylphenyl)-1-propan-2-ylpiperidine;4-(phenylmethoxymethyl)-1-propan-2-ylpiperidine;4-phenyl-1-propan-2-ylpiperidine;1-phenyl-3-(1-propan-2-ylpiperidin-4-yl)propan-2-ol?
The InChIKey is NGGCUVSABQVMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO.C16H24FNO.C16H25NO.C15H23N.C14H21N.4CH4/c1-14(2)18-10-8-16(9-11-18)13-17(19)12-15-6-4-3-5-7-15;1-13(2)18-9-7-15(8-10-18)12-19-11-14-3-5-16(17)6-4-14;1-14(2)17-10-8-16(9-11-17)13-18-12-15-6-4-3-5-7-15;1-12(2)16-10-8-15(9-11-16)14-6-4-13(3)5-7-14;1-12(2)15-10-8-14(9-11-15)13-6-4-3-5-7-13;;;;/h3-7,14,16-17,19H,8-13H2,1-2H3;3-6,13,15H,7-12H2,1-2H3;3-7,14,16H,8-13H2,1-2H3;4-7,12,15H,8-11H2,1-3H3;3-7,12,14H,8-11H2,1-2H3;4*1H4.
What are the key properties of 4-[(4-fluorophenyl)methoxymethyl]-1-propan-2-ylpiperidine;methane;4-(4-methylphenyl)-1-propan-2-ylpiperidine;4-(phenylmethoxymethyl)-1-propan-2-ylpiperidine;4-phenyl-1-propan-2-ylpiperidine;1-phenyl-3-(1-propan-2-ylpiperidin-4-yl)propan-2-ol?
4-[(4-fluorophenyl)methoxymethyl]-1-propan-2-ylpiperidine;methane;4-(4-methylphenyl)-1-propan-2-ylpiperidine;4-(phenylmethoxymethyl)-1-propan-2-ylpiperidine;4-phenyl-1-propan-2-ylpiperidine;1-phenyl-3-(1-propan-2-ylpiperidin-4-yl)propan-2-ol has a molecular weight of 1259.02 g/mol, XLogP of 19.29, 19 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methoxymethyl]-1-propan-2-ylpiperidine;methane;4-(4-methylphenyl)-1-propan-2-ylpiperidine;4-(phenylmethoxymethyl)-1-propan-2-ylpiperidine;4-phenyl-1-propan-2-ylpiperidine;1-phenyl-3-(1-propan-2-ylpiperidin-4-yl)propan-2-ol is sourced from PubChem (CID 159772123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).