1-[[4-[4-(cyclopentyloxymethyl)-3-fluorophenyl]phenyl]methyl]-3,5-dimethyl-4-propylpiperidine

C29H40FNO — CID 126674712

IUPAC1-[[4-[4-(cyclopentyloxymethyl)-3-fluorophenyl]phenyl]methyl]-3,5-dimethyl-4-propylpiperidine
SMILESCCCC1C(C)CN(Cc2ccc(-c3ccc(COC4CCCC4)c(F)c3)cc2)CC1C
InChIInChI=1S/C29H40FNO/c1-4-7-28-21(2)17-31(18-22(28)3)19-23-10-12-24(13-11-23)25-14-15-26(29(30)16-25)20-32-27-8-5-6-9-27/h10-16,21-22,27-28H,4-9,17-20H2,1-3H3
InChIKeyVSXJJEKYQQISCO-UHFFFAOYSA-N
MW437.64 g/mol
LogP7.46
Rot. Bonds8

About 1-[[4-[4-(cyclopentyloxymethyl)-3-fluorophenyl]phenyl]methyl]-3,5-dimethyl-4-propylpiperidine

1-[[4-[4-(cyclopentyloxymethyl)-3-fluorophenyl]phenyl]methyl]-3,5-dimethyl-4-propylpiperidine (PubChem CID 126674712) has the molecular formula C29H40FNO and a molecular weight of 437.64 g/mol. Its IUPAC name is 1-[[4-[4-(cyclopentyloxymethyl)-3-fluorophenyl]phenyl]methyl]-3,5-dimethyl-4-propylpiperidine.

Molecular Properties

Compound Name1-[[4-[4-(cyclopentyloxymethyl)-3-fluorophenyl]phenyl]methyl]-3,5-dimethyl-4-propylpiperidine
PubChem CID126674712
Molecular FormulaC29H40FNO
Molecular Weight437.64 g/mol
Exact Mass437.31
IUPAC Name1-[[4-[4-(cyclopentyloxymethyl)-3-fluorophenyl]phenyl]methyl]-3,5-dimethyl-4-propylpiperidine
SMILESCCCC1C(C)CN(Cc2ccc(-c3ccc(COC4CCCC4)c(F)c3)cc2)CC1C
InChIInChI=1S/C29H40FNO/c1-4-7-28-21(2)17-31(18-22(28)3)19-23-10-12-24(13-11-23)25-14-15-26(29(30)16-25)20-32-27-8-5-6-9-27/h10-16,21-22,27-28H,4-9,17-20H2,1-3H3
InChIKeyVSXJJEKYQQISCO-UHFFFAOYSA-N
XLogP7.46
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.64
LogP ≤ 57.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-[4-(cyclopentyloxymethyl)-3-fluorophenyl]phenyl]methyl]-3,5-dimethyl-4-propylpiperidine?
The IUPAC name of 1-[[4-[4-(cyclopentyloxymethyl)-3-fluorophenyl]phenyl]methyl]-3,5-dimethyl-4-propylpiperidine (CID 126674712) is 1-[[4-[4-(cyclopentyloxymethyl)-3-fluorophenyl]phenyl]methyl]-3,5-dimethyl-4-propylpiperidine.
What is the SMILES notation for 1-[[4-[4-(cyclopentyloxymethyl)-3-fluorophenyl]phenyl]methyl]-3,5-dimethyl-4-propylpiperidine?
The canonical SMILES for 1-[[4-[4-(cyclopentyloxymethyl)-3-fluorophenyl]phenyl]methyl]-3,5-dimethyl-4-propylpiperidine is CCCC1C(C)CN(Cc2ccc(-c3ccc(COC4CCCC4)c(F)c3)cc2)CC1C.
What is the InChIKey of 1-[[4-[4-(cyclopentyloxymethyl)-3-fluorophenyl]phenyl]methyl]-3,5-dimethyl-4-propylpiperidine?
The InChIKey is VSXJJEKYQQISCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40FNO/c1-4-7-28-21(2)17-31(18-22(28)3)19-23-10-12-24(13-11-23)25-14-15-26(29(30)16-25)20-32-27-8-5-6-9-27/h10-16,21-22,27-28H,4-9,17-20H2,1-3H3.
What are the key properties of 1-[[4-[4-(cyclopentyloxymethyl)-3-fluorophenyl]phenyl]methyl]-3,5-dimethyl-4-propylpiperidine?
1-[[4-[4-(cyclopentyloxymethyl)-3-fluorophenyl]phenyl]methyl]-3,5-dimethyl-4-propylpiperidine has a molecular weight of 437.64 g/mol, XLogP of 7.46, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[4-(cyclopentyloxymethyl)-3-fluorophenyl]phenyl]methyl]-3,5-dimethyl-4-propylpiperidine is sourced from PubChem (CID 126674712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).