1-[4-(4-fluorophenoxy)phenyl]-6-piperidin-1-ylhexan-1-one;hydrochloride

C23H29ClFNO2 — CID 70071282

IUPAC1-[4-(4-fluorophenoxy)phenyl]-6-piperidin-1-ylhexan-1-one;hydrochloride
SMILESCl.O=C(CCCCCN1CCCCC1)c1ccc(Oc2ccc(F)cc2)cc1
InChIInChI=1S/C23H28FNO2.ClH/c24-20-10-14-22(15-11-20)27-21-12-8-19(9-13-21)23(26)7-3-1-4-16-25-17-5-2-6-18-25;/h8-15H,1-7,16-18H2;1H
InChIKeyWXRHZBGZIXDABS-UHFFFAOYSA-N
MW405.94 g/mol
LogP6.27
Rot. Bonds9

About 1-[4-(4-fluorophenoxy)phenyl]-6-piperidin-1-ylhexan-1-one;hydrochloride

1-[4-(4-fluorophenoxy)phenyl]-6-piperidin-1-ylhexan-1-one;hydrochloride (PubChem CID 70071282) has the molecular formula C23H29ClFNO2 and a molecular weight of 405.94 g/mol. Its IUPAC name is 1-[4-(4-fluorophenoxy)phenyl]-6-piperidin-1-ylhexan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[4-(4-fluorophenoxy)phenyl]-6-piperidin-1-ylhexan-1-one;hydrochloride
PubChem CID70071282
Molecular FormulaC23H29ClFNO2
Molecular Weight405.94 g/mol
Exact Mass405.19
IUPAC Name1-[4-(4-fluorophenoxy)phenyl]-6-piperidin-1-ylhexan-1-one;hydrochloride
SMILESCl.O=C(CCCCCN1CCCCC1)c1ccc(Oc2ccc(F)cc2)cc1
InChIInChI=1S/C23H28FNO2.ClH/c24-20-10-14-22(15-11-20)27-21-12-8-19(9-13-21)23(26)7-3-1-4-16-25-17-5-2-6-18-25;/h8-15H,1-7,16-18H2;1H
InChIKeyWXRHZBGZIXDABS-UHFFFAOYSA-N
XLogP6.27
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.94
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-phenoxyphenyl)-3-piperidin-1-ylpropan-1-one
CID 82051060
6-piperidin-1-yl-1-[4-(trifluoromethyl)phenyl]hexan-1-one
CID 54339504
3-(azepan-1-yl)-1-[4-[3-(azepan-1-yl)propanoyl]phenyl]propan-1-one;dihydrochloride
CID 52997576
1,9-bis(4-fluorophenyl)nonane-1,9-dione
CID 68637188
1-(4-fluorophenyl)-4-(4-hydroxypiperidin-1-yl)butan-1-one;hydrochloride
CID 29733
1-(4-ethynylphenyl)-5-piperidin-1-ylpentan-1-one
CID 158323866
5-(azepan-1-yl)-1-naphthalen-2-ylpentan-1-one
CID 59229826
1-[3-(4-fluorophenoxy)propyl]azepane;oxalic acid
CID 2944017
1-(4-fluorophenyl)-2-pyrrolidin-1-ylethanone;hydrochloride
CID 13302047
5-phenyl-1-[4-(3-piperidin-1-ylpropoxy)phenyl]pentan-1-one
CID 54372939
1,3-bis[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-one
CID 73346061
4-piperidin-1-yl-1-(4-propan-2-ylphenyl)butan-1-one
CID 70436740

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenoxy)phenyl]-6-piperidin-1-ylhexan-1-one;hydrochloride?
The IUPAC name of 1-[4-(4-fluorophenoxy)phenyl]-6-piperidin-1-ylhexan-1-one;hydrochloride (CID 70071282) is 1-[4-(4-fluorophenoxy)phenyl]-6-piperidin-1-ylhexan-1-one;hydrochloride.
What is the SMILES notation for 1-[4-(4-fluorophenoxy)phenyl]-6-piperidin-1-ylhexan-1-one;hydrochloride?
The canonical SMILES for 1-[4-(4-fluorophenoxy)phenyl]-6-piperidin-1-ylhexan-1-one;hydrochloride is Cl.O=C(CCCCCN1CCCCC1)c1ccc(Oc2ccc(F)cc2)cc1.
What is the InChIKey of 1-[4-(4-fluorophenoxy)phenyl]-6-piperidin-1-ylhexan-1-one;hydrochloride?
The InChIKey is WXRHZBGZIXDABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FNO2.ClH/c24-20-10-14-22(15-11-20)27-21-12-8-19(9-13-21)23(26)7-3-1-4-16-25-17-5-2-6-18-25;/h8-15H,1-7,16-18H2;1H.
What are the key properties of 1-[4-(4-fluorophenoxy)phenyl]-6-piperidin-1-ylhexan-1-one;hydrochloride?
1-[4-(4-fluorophenoxy)phenyl]-6-piperidin-1-ylhexan-1-one;hydrochloride has a molecular weight of 405.94 g/mol, XLogP of 6.27, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenoxy)phenyl]-6-piperidin-1-ylhexan-1-one;hydrochloride is sourced from PubChem (CID 70071282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).