4-fluoro-4-(2-methoxyphenyl)-1-(piperidin-4-ylmethyl)piperidine;hydrochloride

C18H28ClFN2O — CID 120858246

IUPAC4-fluoro-4-(2-methoxyphenyl)-1-(piperidin-4-ylmethyl)piperidine;hydrochloride
SMILESCOc1ccccc1C1(F)CCN(CC2CCNCC2)CC1.Cl
InChIInChI=1S/C18H27FN2O.ClH/c1-22-17-5-3-2-4-16(17)18(19)8-12-21(13-9-18)14-15-6-10-20-11-7-15;/h2-5,15,20H,6-14H2,1H3;1H
InChIKeyBXEGOGCGLNDAFQ-UHFFFAOYSA-N
MW342.89 g/mol
LogP3.38
Rot. Bonds4

About 4-fluoro-4-(2-methoxyphenyl)-1-(piperidin-4-ylmethyl)piperidine;hydrochloride

4-fluoro-4-(2-methoxyphenyl)-1-(piperidin-4-ylmethyl)piperidine;hydrochloride (PubChem CID 120858246) has the molecular formula C18H28ClFN2O and a molecular weight of 342.89 g/mol. Its IUPAC name is 4-fluoro-4-(2-methoxyphenyl)-1-(piperidin-4-ylmethyl)piperidine;hydrochloride.

Molecular Properties

Compound Name4-fluoro-4-(2-methoxyphenyl)-1-(piperidin-4-ylmethyl)piperidine;hydrochloride
PubChem CID120858246
Molecular FormulaC18H28ClFN2O
Molecular Weight342.89 g/mol
Exact Mass342.19
IUPAC Name4-fluoro-4-(2-methoxyphenyl)-1-(piperidin-4-ylmethyl)piperidine;hydrochloride
SMILESCOc1ccccc1C1(F)CCN(CC2CCNCC2)CC1.Cl
InChIInChI=1S/C18H27FN2O.ClH/c1-22-17-5-3-2-4-16(17)18(19)8-12-21(13-9-18)14-15-6-10-20-11-7-15;/h2-5,15,20H,6-14H2,1H3;1H
InChIKeyBXEGOGCGLNDAFQ-UHFFFAOYSA-N
XLogP3.38
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.89
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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4-[[3-(3-chlorophenyl)-3-fluoropyrrolidin-1-yl]methyl]piperidine
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4-[(4-fluorophenyl)methyl]-1-(piperidin-4-ylmethyl)piperidine;hydrochloride
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1'-(piperidin-4-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine];hydrochloride
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1,4-bis(piperidin-4-ylmethyl)piperazine;tetrahydrochloride
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[4-benzyl-1-(piperidin-4-ylmethyl)piperidin-4-yl]methanol
CID 120858035
4-[(2-methoxyphenoxy)methyl]piperidine
CID 22248030
4-fluoro-4-methyl-1-(pyrrolidin-3-ylmethyl)piperidine
CID 115022041
1-[[(2S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-fluoro-4-(5-fluoro-2-methoxyphenyl)piperidine
CID 11551716
1-(cyclopropylmethyl)-4-(2-methoxyphenyl)piperazine
CID 13035986
(2-ethoxyphenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride
CID 119930139

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-(2-methoxyphenyl)-1-(piperidin-4-ylmethyl)piperidine;hydrochloride?
The IUPAC name of 4-fluoro-4-(2-methoxyphenyl)-1-(piperidin-4-ylmethyl)piperidine;hydrochloride (CID 120858246) is 4-fluoro-4-(2-methoxyphenyl)-1-(piperidin-4-ylmethyl)piperidine;hydrochloride.
What is the SMILES notation for 4-fluoro-4-(2-methoxyphenyl)-1-(piperidin-4-ylmethyl)piperidine;hydrochloride?
The canonical SMILES for 4-fluoro-4-(2-methoxyphenyl)-1-(piperidin-4-ylmethyl)piperidine;hydrochloride is COc1ccccc1C1(F)CCN(CC2CCNCC2)CC1.Cl.
What is the InChIKey of 4-fluoro-4-(2-methoxyphenyl)-1-(piperidin-4-ylmethyl)piperidine;hydrochloride?
The InChIKey is BXEGOGCGLNDAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O.ClH/c1-22-17-5-3-2-4-16(17)18(19)8-12-21(13-9-18)14-15-6-10-20-11-7-15;/h2-5,15,20H,6-14H2,1H3;1H.
What are the key properties of 4-fluoro-4-(2-methoxyphenyl)-1-(piperidin-4-ylmethyl)piperidine;hydrochloride?
4-fluoro-4-(2-methoxyphenyl)-1-(piperidin-4-ylmethyl)piperidine;hydrochloride has a molecular weight of 342.89 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-(2-methoxyphenyl)-1-(piperidin-4-ylmethyl)piperidine;hydrochloride is sourced from PubChem (CID 120858246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).