2-(2-chloro-4-fluorophenoxy)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one;hydrochloride

C18H25Cl2FN2O2 — CID 119625550

IUPAC2-(2-chloro-4-fluorophenoxy)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one;hydrochloride
SMILESCC(Oc1ccc(F)cc1Cl)C(=O)N1CCC(NCC2CC2)CC1.Cl
InChIInChI=1S/C18H24ClFN2O2.ClH/c1-12(24-17-5-4-14(20)10-16(17)19)18(23)22-8-6-15(7-9-22)21-11-13-2-3-13;/h4-5,10,12-13,15,21H,2-3,6-9,11H2,1H3;1H
InChIKeyOILVMNSAEOHTKR-UHFFFAOYSA-N
MW391.31 g/mol
LogP3.66
Rot. Bonds6

About 2-(2-chloro-4-fluorophenoxy)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one;hydrochloride

2-(2-chloro-4-fluorophenoxy)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one;hydrochloride (PubChem CID 119625550) has the molecular formula C18H25Cl2FN2O2 and a molecular weight of 391.31 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenoxy)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one;hydrochloride.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenoxy)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one;hydrochloride
PubChem CID119625550
Molecular FormulaC18H25Cl2FN2O2
Molecular Weight391.31 g/mol
Exact Mass390.13
IUPAC Name2-(2-chloro-4-fluorophenoxy)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one;hydrochloride
SMILESCC(Oc1ccc(F)cc1Cl)C(=O)N1CCC(NCC2CC2)CC1.Cl
InChIInChI=1S/C18H24ClFN2O2.ClH/c1-12(24-17-5-4-14(20)10-16(17)19)18(23)22-8-6-15(7-9-22)21-11-13-2-3-13;/h4-5,10,12-13,15,21H,2-3,6-9,11H2,1H3;1H
InChIKeyOILVMNSAEOHTKR-UHFFFAOYSA-N
XLogP3.66
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.31
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-4-fluorophenoxy)-1-[4-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119564143
1-[(2S)-2-(2-chloro-4-fluorophenoxy)propanoyl]piperidine-4-carboxylic acid
CID 124695068
(2R)-1-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-2-(2-chloro-4-fluorophenoxy)propan-1-one
CID 125134538
2-(2-chloro-4-fluorophenoxy)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 111562005
1-(3-aminopiperidin-1-yl)-2-(2-chloro-4-fluorophenoxy)propan-1-one;hydrochloride
CID 119381945
2-(2-chloro-4-fluorophenoxy)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-1-one
CID 110023883
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(3-fluorophenyl)propan-1-one
CID 119621964
2-(3-tert-butylphenoxy)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119622835
1-[2-(2-chloro-4-fluorophenoxy)propanoyl]piperidine-3-carboxylic acid
CID 119167761
(2S)-2-(2-chloro-4-fluorophenoxy)-N-(1-propylpiperidin-4-yl)propanamide
CID 27212161
2-(2-chloro-4-fluorophenoxy)-N-(1-propylpiperidin-4-yl)propanamide
CID 17250206
2-(3-acetylphenoxy)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one
CID 119622024

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenoxy)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one;hydrochloride?
The IUPAC name of 2-(2-chloro-4-fluorophenoxy)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one;hydrochloride (CID 119625550) is 2-(2-chloro-4-fluorophenoxy)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one;hydrochloride.
What is the SMILES notation for 2-(2-chloro-4-fluorophenoxy)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one;hydrochloride?
The canonical SMILES for 2-(2-chloro-4-fluorophenoxy)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one;hydrochloride is CC(Oc1ccc(F)cc1Cl)C(=O)N1CCC(NCC2CC2)CC1.Cl.
What is the InChIKey of 2-(2-chloro-4-fluorophenoxy)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one;hydrochloride?
The InChIKey is OILVMNSAEOHTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClFN2O2.ClH/c1-12(24-17-5-4-14(20)10-16(17)19)18(23)22-8-6-15(7-9-22)21-11-13-2-3-13;/h4-5,10,12-13,15,21H,2-3,6-9,11H2,1H3;1H.
What are the key properties of 2-(2-chloro-4-fluorophenoxy)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one;hydrochloride?
2-(2-chloro-4-fluorophenoxy)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one;hydrochloride has a molecular weight of 391.31 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenoxy)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one;hydrochloride is sourced from PubChem (CID 119625550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).