[4-(4-fluorophenyl)piperazin-1-yl]-piperidin-2-ylmethanone;dihydrochloride

C16H24Cl2FN3O — CID 119827491

IUPAC[4-(4-fluorophenyl)piperazin-1-yl]-piperidin-2-ylmethanone;dihydrochloride
SMILESCl.Cl.O=C(C1CCCCN1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C16H22FN3O.2ClH/c17-13-4-6-14(7-5-13)19-9-11-20(12-10-19)16(21)15-3-1-2-8-18-15;;/h4-7,15,18H,1-3,8-12H2;2*1H
InChIKeyMNCPLVFOMKHQKO-UHFFFAOYSA-N
MW364.29 g/mol
LogP2.46
Rot. Bonds2

About [4-(4-fluorophenyl)piperazin-1-yl]-piperidin-2-ylmethanone;dihydrochloride

[4-(4-fluorophenyl)piperazin-1-yl]-piperidin-2-ylmethanone;dihydrochloride (PubChem CID 119827491) has the molecular formula C16H24Cl2FN3O and a molecular weight of 364.29 g/mol. Its IUPAC name is [4-(4-fluorophenyl)piperazin-1-yl]-piperidin-2-ylmethanone;dihydrochloride.

Molecular Properties

Compound Name[4-(4-fluorophenyl)piperazin-1-yl]-piperidin-2-ylmethanone;dihydrochloride
PubChem CID119827491
Molecular FormulaC16H24Cl2FN3O
Molecular Weight364.29 g/mol
Exact Mass363.13
IUPAC Name[4-(4-fluorophenyl)piperazin-1-yl]-piperidin-2-ylmethanone;dihydrochloride
SMILESCl.Cl.O=C(C1CCCCN1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C16H22FN3O.2ClH/c17-13-4-6-14(7-5-13)19-9-11-20(12-10-19)16(21)15-3-1-2-8-18-15;;/h4-7,15,18H,1-3,8-12H2;2*1H
InChIKeyMNCPLVFOMKHQKO-UHFFFAOYSA-N
XLogP2.46
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.29
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-hydroxyphenyl)piperazin-1-yl]-piperidin-2-ylmethanone
CID 60936747
4-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]benzamide;dihydrochloride
CID 119890505
4-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]benzamide
CID 68721294
[4-(3-methylphenyl)piperazin-1-yl]-piperidin-2-ylmethanone
CID 18073007
2-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 2886463
trans-(1S,2S)-2-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 873868
cis-(1R,2S)-2-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 873866
[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-piperidin-2-ylmethanone
CID 119838880
[4-(3-fluorobenzoyl)piperazin-1-yl]-piperidin-2-ylmethanone;hydrochloride
CID 119282032
[4-(2-hydroxyphenyl)piperazin-1-yl]-piperidin-2-ylmethanone
CID 60937633
[4-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 125151598
2-(2-fluorophenyl)-1-[4-(piperidine-2-carbonyl)piperazin-1-yl]ethanone;hydrochloride
CID 119306855

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-piperidin-2-ylmethanone;dihydrochloride?
The IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-piperidin-2-ylmethanone;dihydrochloride (CID 119827491) is [4-(4-fluorophenyl)piperazin-1-yl]-piperidin-2-ylmethanone;dihydrochloride.
What is the SMILES notation for [4-(4-fluorophenyl)piperazin-1-yl]-piperidin-2-ylmethanone;dihydrochloride?
The canonical SMILES for [4-(4-fluorophenyl)piperazin-1-yl]-piperidin-2-ylmethanone;dihydrochloride is Cl.Cl.O=C(C1CCCCN1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of [4-(4-fluorophenyl)piperazin-1-yl]-piperidin-2-ylmethanone;dihydrochloride?
The InChIKey is MNCPLVFOMKHQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O.2ClH/c17-13-4-6-14(7-5-13)19-9-11-20(12-10-19)16(21)15-3-1-2-8-18-15;;/h4-7,15,18H,1-3,8-12H2;2*1H.
What are the key properties of [4-(4-fluorophenyl)piperazin-1-yl]-piperidin-2-ylmethanone;dihydrochloride?
[4-(4-fluorophenyl)piperazin-1-yl]-piperidin-2-ylmethanone;dihydrochloride has a molecular weight of 364.29 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)piperazin-1-yl]-piperidin-2-ylmethanone;dihydrochloride is sourced from PubChem (CID 119827491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).