(4-fluorophenyl)-[1-(piperidin-4-ylmethyl)piperidin-4-yl]methanone;hydrochloride

C18H26ClFN2O — CID 120847748

IUPAC(4-fluorophenyl)-[1-(piperidin-4-ylmethyl)piperidin-4-yl]methanone;hydrochloride
SMILESCl.O=C(c1ccc(F)cc1)C1CCN(CC2CCNCC2)CC1
InChIInChI=1S/C18H25FN2O.ClH/c19-17-3-1-15(2-4-17)18(22)16-7-11-21(12-8-16)13-14-5-9-20-10-6-14;/h1-4,14,16,20H,5-13H2;1H
InChIKeyIHTOHFJASPIXDQ-UHFFFAOYSA-N
MW340.87 g/mol
LogP3.14
Rot. Bonds4

About (4-fluorophenyl)-[1-(piperidin-4-ylmethyl)piperidin-4-yl]methanone;hydrochloride

(4-fluorophenyl)-[1-(piperidin-4-ylmethyl)piperidin-4-yl]methanone;hydrochloride (PubChem CID 120847748) has the molecular formula C18H26ClFN2O and a molecular weight of 340.87 g/mol. Its IUPAC name is (4-fluorophenyl)-[1-(piperidin-4-ylmethyl)piperidin-4-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(4-fluorophenyl)-[1-(piperidin-4-ylmethyl)piperidin-4-yl]methanone;hydrochloride
PubChem CID120847748
Molecular FormulaC18H26ClFN2O
Molecular Weight340.87 g/mol
Exact Mass340.17
IUPAC Name(4-fluorophenyl)-[1-(piperidin-4-ylmethyl)piperidin-4-yl]methanone;hydrochloride
SMILESCl.O=C(c1ccc(F)cc1)C1CCN(CC2CCNCC2)CC1
InChIInChI=1S/C18H25FN2O.ClH/c19-17-3-1-15(2-4-17)18(22)16-7-11-21(12-8-16)13-14-5-9-20-10-6-14;/h1-4,14,16,20H,5-13H2;1H
InChIKeyIHTOHFJASPIXDQ-UHFFFAOYSA-N
XLogP3.14
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.87
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methylphenyl)-[1-(piperidin-4-ylmethyl)piperidin-4-yl]methanone;hydrochloride
CID 119930769
[1-(cyclopropylmethyl)piperidin-4-yl]-phenylmethanone
CID 136515283
(4-fluorophenyl)-(1-propylpiperidin-4-yl)methanone
CID 21322169
2-[4-(4-fluorobenzoyl)piperidin-1-yl]acetonitrile
CID 3020042
4-[(4-fluorophenyl)methyl]-1-(piperidin-4-ylmethyl)piperidine;hydrochloride
CID 119931258
(3,4-difluorophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride
CID 119930484
(4-fluorophenyl)-[1-[(3S,4S)-4-hydroxypiperidin-3-yl]piperidin-4-yl]methanone
CID 53391536
(3,4-difluorophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone
CID 119930485
[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 14968317
(4-bromophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride
CID 119931058
carbonic acid;cyclopropyl-(4-fluorophenyl)methanone
CID 70591136
(2,5-difluorophenyl)-[1-(piperidin-3-ylmethyl)piperidin-4-yl]methanone
CID 119930632

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[1-(piperidin-4-ylmethyl)piperidin-4-yl]methanone;hydrochloride?
The IUPAC name of (4-fluorophenyl)-[1-(piperidin-4-ylmethyl)piperidin-4-yl]methanone;hydrochloride (CID 120847748) is (4-fluorophenyl)-[1-(piperidin-4-ylmethyl)piperidin-4-yl]methanone;hydrochloride.
What is the SMILES notation for (4-fluorophenyl)-[1-(piperidin-4-ylmethyl)piperidin-4-yl]methanone;hydrochloride?
The canonical SMILES for (4-fluorophenyl)-[1-(piperidin-4-ylmethyl)piperidin-4-yl]methanone;hydrochloride is Cl.O=C(c1ccc(F)cc1)C1CCN(CC2CCNCC2)CC1.
What is the InChIKey of (4-fluorophenyl)-[1-(piperidin-4-ylmethyl)piperidin-4-yl]methanone;hydrochloride?
The InChIKey is IHTOHFJASPIXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O.ClH/c19-17-3-1-15(2-4-17)18(22)16-7-11-21(12-8-16)13-14-5-9-20-10-6-14;/h1-4,14,16,20H,5-13H2;1H.
What are the key properties of (4-fluorophenyl)-[1-(piperidin-4-ylmethyl)piperidin-4-yl]methanone;hydrochloride?
(4-fluorophenyl)-[1-(piperidin-4-ylmethyl)piperidin-4-yl]methanone;hydrochloride has a molecular weight of 340.87 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[1-(piperidin-4-ylmethyl)piperidin-4-yl]methanone;hydrochloride is sourced from PubChem (CID 120847748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).