2-(4-methoxyphenoxy)-1-[4-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride

C16H25ClN2O3 — CID 119563255

IUPAC2-(4-methoxyphenoxy)-1-[4-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
SMILESCNC1CCN(C(=O)C(C)Oc2ccc(OC)cc2)CC1.Cl
InChIInChI=1S/C16H24N2O3.ClH/c1-12(21-15-6-4-14(20-3)5-7-15)16(19)18-10-8-13(17-2)9-11-18;/h4-7,12-13,17H,8-11H2,1-3H3;1H
InChIKeyBWQYQTMEHADRPO-UHFFFAOYSA-N
MW328.84 g/mol
LogP2.09
Rot. Bonds5

About 2-(4-methoxyphenoxy)-1-[4-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride

2-(4-methoxyphenoxy)-1-[4-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride (PubChem CID 119563255) has the molecular formula C16H25ClN2O3 and a molecular weight of 328.84 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-1-[4-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-1-[4-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
PubChem CID119563255
Molecular FormulaC16H25ClN2O3
Molecular Weight328.84 g/mol
Exact Mass328.16
IUPAC Name2-(4-methoxyphenoxy)-1-[4-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
SMILESCNC1CCN(C(=O)C(C)Oc2ccc(OC)cc2)CC1.Cl
InChIInChI=1S/C16H24N2O3.ClH/c1-12(21-15-6-4-14(20-3)5-7-15)16(19)18-10-8-13(17-2)9-11-18;/h4-7,12-13,17H,8-11H2,1-3H3;1H
InChIKeyBWQYQTMEHADRPO-UHFFFAOYSA-N
XLogP2.09
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(methylamino)piperidin-1-yl]-2-(4-phenylphenoxy)propan-1-one;hydrochloride
CID 119563868
N-[1-[2-(4-methoxyphenoxy)propanoyl]piperidin-4-yl]benzenesulfonamide
CID 55504753
1-(3-hydroxypyrrolidin-1-yl)-2-(4-methoxyphenoxy)propan-1-one
CID 55130764
4-methoxy-N-[1-(2-phenoxypropanoyl)piperidin-4-yl]benzenesulfonamide
CID 50823767
(2R)-2-(4-methoxyphenoxy)-1-(4-pyrrol-1-ylpiperidin-1-yl)propan-1-one
CID 95148539
2-[1-[2-(4-methoxyphenoxy)propanoyl]piperidin-4-yl]acetic acid
CID 119178547
2-(3-bromophenoxy)-1-[4-(methylamino)piperidin-1-yl]propan-1-one
CID 119562871
1-[2-(4-methoxyphenoxy)propanoyl]pyrrolidine-3-carboxylic acid
CID 63032662
ethyl 1-[(2S)-2-(4-methoxyphenoxy)propanoyl]piperidine-4-carboxylate
CID 925118
4-[(2S)-2-(4-methoxyphenoxy)propanoyl]piperazine-1-carbaldehyde
CID 925146
(2R)-2-(4-fluorophenoxy)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]propan-1-one
CID 25473593
2-(3-methoxyphenyl)-1-[4-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119560528

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-1-[4-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride?
The IUPAC name of 2-(4-methoxyphenoxy)-1-[4-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride (CID 119563255) is 2-(4-methoxyphenoxy)-1-[4-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride.
What is the SMILES notation for 2-(4-methoxyphenoxy)-1-[4-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride?
The canonical SMILES for 2-(4-methoxyphenoxy)-1-[4-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride is CNC1CCN(C(=O)C(C)Oc2ccc(OC)cc2)CC1.Cl.
What is the InChIKey of 2-(4-methoxyphenoxy)-1-[4-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride?
The InChIKey is BWQYQTMEHADRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3.ClH/c1-12(21-15-6-4-14(20-3)5-7-15)16(19)18-10-8-13(17-2)9-11-18;/h4-7,12-13,17H,8-11H2,1-3H3;1H.
What are the key properties of 2-(4-methoxyphenoxy)-1-[4-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride?
2-(4-methoxyphenoxy)-1-[4-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride has a molecular weight of 328.84 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-1-[4-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride is sourced from PubChem (CID 119563255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).