[4-[4-[[1-(2-fluorobutyl)piperidin-4-yl]methoxy]phenyl]phenyl]-(3-methylpiperidin-1-yl)methanone

C29H39FN2O2 — CID 134420597

IUPAC[4-[4-[[1-(2-fluorobutyl)piperidin-4-yl]methoxy]phenyl]phenyl]-(3-methylpiperidin-1-yl)methanone
SMILESCCC(F)CN1CCC(COc2ccc(-c3ccc(C(=O)N4CCCC(C)C4)cc3)cc2)CC1
InChIInChI=1S/C29H39FN2O2/c1-3-27(30)20-31-17-14-23(15-18-31)21-34-28-12-10-25(11-13-28)24-6-8-26(9-7-24)29(33)32-16-4-5-22(2)19-32/h6-13,22-23,27H,3-5,14-21H2,1-2H3
InChIKeyIFTFMAVJZDHFPV-UHFFFAOYSA-N
MW466.64 g/mol
LogP6.06
Rot. Bonds8

About [4-[4-[[1-(2-fluorobutyl)piperidin-4-yl]methoxy]phenyl]phenyl]-(3-methylpiperidin-1-yl)methanone

[4-[4-[[1-(2-fluorobutyl)piperidin-4-yl]methoxy]phenyl]phenyl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 134420597) has the molecular formula C29H39FN2O2 and a molecular weight of 466.64 g/mol. Its IUPAC name is [4-[4-[[1-(2-fluorobutyl)piperidin-4-yl]methoxy]phenyl]phenyl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-[4-[[1-(2-fluorobutyl)piperidin-4-yl]methoxy]phenyl]phenyl]-(3-methylpiperidin-1-yl)methanone
PubChem CID134420597
Molecular FormulaC29H39FN2O2
Molecular Weight466.64 g/mol
Exact Mass466.30
IUPAC Name[4-[4-[[1-(2-fluorobutyl)piperidin-4-yl]methoxy]phenyl]phenyl]-(3-methylpiperidin-1-yl)methanone
SMILESCCC(F)CN1CCC(COc2ccc(-c3ccc(C(=O)N4CCCC(C)C4)cc3)cc2)CC1
InChIInChI=1S/C29H39FN2O2/c1-3-27(30)20-31-17-14-23(15-18-31)21-34-28-12-10-25(11-13-28)24-6-8-26(9-7-24)29(33)32-16-4-5-22(2)19-32/h6-13,22-23,27H,3-5,14-21H2,1-2H3
InChIKeyIFTFMAVJZDHFPV-UHFFFAOYSA-N
XLogP6.06
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.64
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [4-[4-[[1-(2-fluorobutyl)piperidin-4-yl]methoxy]phenyl]phenyl]-(3-methylpiperidin-1-yl)methanone with MolForge

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Related Compounds

(4-ethoxyphenyl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 669383
[(3S)-3-methylpyrrolidin-1-yl]-[4-[4-[[1-[[1-(trifluoromethyl)cyclobutyl]methyl]piperidin-4-yl]methoxy]phenyl]phenyl]methanone
CID 162613575
[4-[[(3S)-1-(4-fluorobenzoyl)piperidin-3-yl]methoxy]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 95097674
[4-[4-[[1-[(1-fluorocyclohexyl)methyl]piperidin-4-yl]methoxy]phenyl]phenyl]-pyrrolidin-1-ylmethanone
CID 134420631
[6-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]-3-pyridinyl]-(3-hydroxypiperidin-1-yl)methanone
CID 90017119
[(3R)-3-[[4-(4-methylpiperidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]-phenylmethanone
CID 95097695
1-[4-(cyclopropylmethoxy)benzoyl]piperidine-3-carboxylic acid
CID 119167329
[3-(1-aminoethyl)piperidin-1-yl]-[4-(cyclohexylmethoxy)phenyl]methanone
CID 119596221
4-[[1-(4-methylbenzoyl)piperidin-4-yl]methoxy]-N-propan-2-ylbenzamide
CID 53150590
1-[(3R)-3-[[4-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]propan-1-one
CID 95097768
[4-[(4-methoxyphenoxy)methyl]phenyl]-(3-methylpiperidin-1-yl)methanone
CID 122195783
(4-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 3113489

Frequently Asked Questions

What is the IUPAC name of [4-[4-[[1-(2-fluorobutyl)piperidin-4-yl]methoxy]phenyl]phenyl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [4-[4-[[1-(2-fluorobutyl)piperidin-4-yl]methoxy]phenyl]phenyl]-(3-methylpiperidin-1-yl)methanone (CID 134420597) is [4-[4-[[1-(2-fluorobutyl)piperidin-4-yl]methoxy]phenyl]phenyl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-[4-[[1-(2-fluorobutyl)piperidin-4-yl]methoxy]phenyl]phenyl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [4-[4-[[1-(2-fluorobutyl)piperidin-4-yl]methoxy]phenyl]phenyl]-(3-methylpiperidin-1-yl)methanone is CCC(F)CN1CCC(COc2ccc(-c3ccc(C(=O)N4CCCC(C)C4)cc3)cc2)CC1.
What is the InChIKey of [4-[4-[[1-(2-fluorobutyl)piperidin-4-yl]methoxy]phenyl]phenyl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is IFTFMAVJZDHFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39FN2O2/c1-3-27(30)20-31-17-14-23(15-18-31)21-34-28-12-10-25(11-13-28)24-6-8-26(9-7-24)29(33)32-16-4-5-22(2)19-32/h6-13,22-23,27H,3-5,14-21H2,1-2H3.
What are the key properties of [4-[4-[[1-(2-fluorobutyl)piperidin-4-yl]methoxy]phenyl]phenyl]-(3-methylpiperidin-1-yl)methanone?
[4-[4-[[1-(2-fluorobutyl)piperidin-4-yl]methoxy]phenyl]phenyl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 466.64 g/mol, XLogP of 6.06, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[[1-(2-fluorobutyl)piperidin-4-yl]methoxy]phenyl]phenyl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 134420597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).