1-[3-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]propyl]-4-methylpiperazine

C20H32FN3 — CID 75518320

IUPAC1-[3-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]propyl]-4-methylpiperazine
SMILESCN1CCN(CCCN2CCC(Cc3cccc(F)c3)CC2)CC1
InChIInChI=1S/C20H32FN3/c1-22-12-14-24(15-13-22)9-3-8-23-10-6-18(7-11-23)16-19-4-2-5-20(21)17-19/h2,4-5,17-18H,3,6-16H2,1H3
InChIKeyLZYVCRVTDAKRAN-UHFFFAOYSA-N
MW333.49 g/mol
LogP2.72
Rot. Bonds6

About 1-[3-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]propyl]-4-methylpiperazine

1-[3-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]propyl]-4-methylpiperazine (PubChem CID 75518320) has the molecular formula C20H32FN3 and a molecular weight of 333.49 g/mol. Its IUPAC name is 1-[3-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]propyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[3-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]propyl]-4-methylpiperazine
PubChem CID75518320
Molecular FormulaC20H32FN3
Molecular Weight333.49 g/mol
Exact Mass333.26
IUPAC Name1-[3-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]propyl]-4-methylpiperazine
SMILESCN1CCN(CCCN2CCC(Cc3cccc(F)c3)CC2)CC1
InChIInChI=1S/C20H32FN3/c1-22-12-14-24(15-13-22)9-3-8-23-10-6-18(7-11-23)16-19-4-2-5-20(21)17-19/h2,4-5,17-18H,3,6-16H2,1H3
InChIKeyLZYVCRVTDAKRAN-UHFFFAOYSA-N
XLogP2.72
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.49
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;4-[(3-fluorophenyl)methyl]-1-methylpiperidine
CID 163281895
4-[(3,5-difluorophenyl)methyl]-1-methylpiperidine
CID 155020969
4-[(3-fluorophenyl)methyl]-1-(2-phenoxyethyl)piperidine;hydrochloride
CID 23294547
4-[(3-fluorophenyl)methyl]-N-methylcyclohexan-1-amine
CID 116926377
4-[(3-fluorophenyl)methyl]-1-[(1-propyltetrazol-5-yl)methyl]piperidine
CID 60502223
2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-N-methyl-N-phenylacetamide
CID 60502457
1-(azepan-1-yl)-2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]ethanone
CID 60502254
[4-[(3-fluorophenyl)methyl]cyclohexyl]methanamine
CID 90782527
N-[(3-fluorophenyl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine
CID 28679808
2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 95648491
3-ethyl-5-[[4-[(3-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 60502187
2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]propanamide
CID 47053789

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]propyl]-4-methylpiperazine?
The IUPAC name of 1-[3-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]propyl]-4-methylpiperazine (CID 75518320) is 1-[3-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]propyl]-4-methylpiperazine.
What is the SMILES notation for 1-[3-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]propyl]-4-methylpiperazine?
The canonical SMILES for 1-[3-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]propyl]-4-methylpiperazine is CN1CCN(CCCN2CCC(Cc3cccc(F)c3)CC2)CC1.
What is the InChIKey of 1-[3-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]propyl]-4-methylpiperazine?
The InChIKey is LZYVCRVTDAKRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32FN3/c1-22-12-14-24(15-13-22)9-3-8-23-10-6-18(7-11-23)16-19-4-2-5-20(21)17-19/h2,4-5,17-18H,3,6-16H2,1H3.
What are the key properties of 1-[3-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]propyl]-4-methylpiperazine?
1-[3-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]propyl]-4-methylpiperazine has a molecular weight of 333.49 g/mol, XLogP of 2.72, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]propyl]-4-methylpiperazine is sourced from PubChem (CID 75518320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).