(4-fluorophenyl)-[1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]methanone;dihydrochloride

C22H30Cl2FN5O — CID 14882741

IUPAC(4-fluorophenyl)-[1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]methanone;dihydrochloride
SMILESCl.Cl.O=C(c1ccc(F)cc1)C1CCN(CCN2CCN(c3ncccn3)CC2)CC1
InChIInChI=1S/C22H28FN5O.2ClH/c23-20-4-2-18(3-5-20)21(29)19-6-10-26(11-7-19)12-13-27-14-16-28(17-15-27)22-24-8-1-9-25-22;;/h1-5,8-9,19H,6-7,10-17H2;2*1H
InChIKeyLTEURWHENMDVGN-UHFFFAOYSA-N
MW470.42 g/mol
LogP3.18
Rot. Bonds6

About (4-fluorophenyl)-[1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]methanone;dihydrochloride

(4-fluorophenyl)-[1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]methanone;dihydrochloride (PubChem CID 14882741) has the molecular formula C22H30Cl2FN5O and a molecular weight of 470.42 g/mol. Its IUPAC name is (4-fluorophenyl)-[1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name(4-fluorophenyl)-[1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]methanone;dihydrochloride
PubChem CID14882741
Molecular FormulaC22H30Cl2FN5O
Molecular Weight470.42 g/mol
Exact Mass469.18
IUPAC Name(4-fluorophenyl)-[1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]methanone;dihydrochloride
SMILESCl.Cl.O=C(c1ccc(F)cc1)C1CCN(CCN2CCN(c3ncccn3)CC2)CC1
InChIInChI=1S/C22H28FN5O.2ClH/c23-20-4-2-18(3-5-20)21(29)19-6-10-26(11-7-19)12-13-27-14-16-28(17-15-27)22-24-8-1-9-25-22;;/h1-5,8-9,19H,6-7,10-17H2;2*1H
InChIKeyLTEURWHENMDVGN-UHFFFAOYSA-N
XLogP3.18
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.42
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 21322169
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2-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]phthalazin-1-one;hydrochloride
CID 22150162
[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-(4-fluorophenyl)methanone
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CID 3020042
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CID 11016205
[1-[3-(benzimidazol-1-yl)propyl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 54135393
(4-fluorophenyl)-[1-(piperidin-4-ylmethyl)piperidin-4-yl]methanone;hydrochloride
CID 120847748
N-[(4-fluorophenyl)methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
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2-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]pyrimidine
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2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl N-quinolin-6-ylcarbamate
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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]methanone;dihydrochloride?
The IUPAC name of (4-fluorophenyl)-[1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]methanone;dihydrochloride (CID 14882741) is (4-fluorophenyl)-[1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]methanone;dihydrochloride.
What is the SMILES notation for (4-fluorophenyl)-[1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]methanone;dihydrochloride?
The canonical SMILES for (4-fluorophenyl)-[1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]methanone;dihydrochloride is Cl.Cl.O=C(c1ccc(F)cc1)C1CCN(CCN2CCN(c3ncccn3)CC2)CC1.
What is the InChIKey of (4-fluorophenyl)-[1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]methanone;dihydrochloride?
The InChIKey is LTEURWHENMDVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN5O.2ClH/c23-20-4-2-18(3-5-20)21(29)19-6-10-26(11-7-19)12-13-27-14-16-28(17-15-27)22-24-8-1-9-25-22;;/h1-5,8-9,19H,6-7,10-17H2;2*1H.
What are the key properties of (4-fluorophenyl)-[1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]methanone;dihydrochloride?
(4-fluorophenyl)-[1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]methanone;dihydrochloride has a molecular weight of 470.42 g/mol, XLogP of 3.18, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]methanone;dihydrochloride is sourced from PubChem (CID 14882741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).