1-[(3-fluoro-4-methoxyphenyl)methyl]-4-(3-piperidin-1-ylpropyl)piperazine

C20H32FN3O — CID 71886708

IUPAC1-[(3-fluoro-4-methoxyphenyl)methyl]-4-(3-piperidin-1-ylpropyl)piperazine
SMILESCOc1ccc(CN2CCN(CCCN3CCCCC3)CC2)cc1F
InChIInChI=1S/C20H32FN3O/c1-25-20-7-6-18(16-19(20)21)17-24-14-12-23(13-15-24)11-5-10-22-8-3-2-4-9-22/h6-7,16H,2-5,8-15,17H2,1H3
InChIKeyMHFYWTYJXZPPHH-UHFFFAOYSA-N
MW349.49 g/mol
LogP2.83
Rot. Bonds7

About 1-[(3-fluoro-4-methoxyphenyl)methyl]-4-(3-piperidin-1-ylpropyl)piperazine

1-[(3-fluoro-4-methoxyphenyl)methyl]-4-(3-piperidin-1-ylpropyl)piperazine (PubChem CID 71886708) has the molecular formula C20H32FN3O and a molecular weight of 349.49 g/mol. Its IUPAC name is 1-[(3-fluoro-4-methoxyphenyl)methyl]-4-(3-piperidin-1-ylpropyl)piperazine.

Molecular Properties

Compound Name1-[(3-fluoro-4-methoxyphenyl)methyl]-4-(3-piperidin-1-ylpropyl)piperazine
PubChem CID71886708
Molecular FormulaC20H32FN3O
Molecular Weight349.49 g/mol
Exact Mass349.25
IUPAC Name1-[(3-fluoro-4-methoxyphenyl)methyl]-4-(3-piperidin-1-ylpropyl)piperazine
SMILESCOc1ccc(CN2CCN(CCCN3CCCCC3)CC2)cc1F
InChIInChI=1S/C20H32FN3O/c1-25-20-7-6-18(16-19(20)21)17-24-14-12-23(13-15-24)11-5-10-22-8-3-2-4-9-22/h6-7,16H,2-5,8-15,17H2,1H3
InChIKeyMHFYWTYJXZPPHH-UHFFFAOYSA-N
XLogP2.83
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.49
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[(3-fluoro-4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]propan-1-amine
CID 43251546
3-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]propan-1-amine
CID 43251327
[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[4-(piperidin-1-ylmethyl)phenyl]methanone
CID 18115984
4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine-1-carbaldehyde
CID 91359286
1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-ol
CID 24904753
1-butyl-4-[(3,4-dimethoxyphenyl)methyl]piperazine
CID 174368866
2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]cyclohexan-1-ol
CID 110883553
cyclopropyl-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 110399346
1-[2-(benzenesulfonyl)ethyl]-4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine
CID 33071081
1-(azetidin-3-yl)-4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine
CID 66202694
1-[3-(azepan-1-yl)propyl]-3-[(3-fluoro-4-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111324665
1-[(3-fluoro-4-methoxyphenyl)methyl]piperidine-4-carbonitrile
CID 48940722

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluoro-4-methoxyphenyl)methyl]-4-(3-piperidin-1-ylpropyl)piperazine?
The IUPAC name of 1-[(3-fluoro-4-methoxyphenyl)methyl]-4-(3-piperidin-1-ylpropyl)piperazine (CID 71886708) is 1-[(3-fluoro-4-methoxyphenyl)methyl]-4-(3-piperidin-1-ylpropyl)piperazine.
What is the SMILES notation for 1-[(3-fluoro-4-methoxyphenyl)methyl]-4-(3-piperidin-1-ylpropyl)piperazine?
The canonical SMILES for 1-[(3-fluoro-4-methoxyphenyl)methyl]-4-(3-piperidin-1-ylpropyl)piperazine is COc1ccc(CN2CCN(CCCN3CCCCC3)CC2)cc1F.
What is the InChIKey of 1-[(3-fluoro-4-methoxyphenyl)methyl]-4-(3-piperidin-1-ylpropyl)piperazine?
The InChIKey is MHFYWTYJXZPPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32FN3O/c1-25-20-7-6-18(16-19(20)21)17-24-14-12-23(13-15-24)11-5-10-22-8-3-2-4-9-22/h6-7,16H,2-5,8-15,17H2,1H3.
What are the key properties of 1-[(3-fluoro-4-methoxyphenyl)methyl]-4-(3-piperidin-1-ylpropyl)piperazine?
1-[(3-fluoro-4-methoxyphenyl)methyl]-4-(3-piperidin-1-ylpropyl)piperazine has a molecular weight of 349.49 g/mol, XLogP of 2.83, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluoro-4-methoxyphenyl)methyl]-4-(3-piperidin-1-ylpropyl)piperazine is sourced from PubChem (CID 71886708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).