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

C21H27ClN2O2 — CID 119563868

IUPAC1-[4-(methylamino)piperidin-1-yl]-2-(4-phenylphenoxy)propan-1-one;hydrochloride
SMILESCNC1CCN(C(=O)C(C)Oc2ccc(-c3ccccc3)cc2)CC1.Cl
InChIInChI=1S/C21H26N2O2.ClH/c1-16(21(24)23-14-12-19(22-2)13-15-23)25-20-10-8-18(9-11-20)17-6-4-3-5-7-17;/h3-11,16,19,22H,12-15H2,1-2H3;1H
InChIKeyBXCBJYUYTZTXEO-UHFFFAOYSA-N
MW374.91 g/mol
LogP3.75
Rot. Bonds5

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

1-[4-(methylamino)piperidin-1-yl]-2-(4-phenylphenoxy)propan-1-one;hydrochloride (PubChem CID 119563868) has the molecular formula C21H27ClN2O2 and a molecular weight of 374.91 g/mol. Its IUPAC name is 1-[4-(methylamino)piperidin-1-yl]-2-(4-phenylphenoxy)propan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[4-(methylamino)piperidin-1-yl]-2-(4-phenylphenoxy)propan-1-one;hydrochloride
PubChem CID119563868
Molecular FormulaC21H27ClN2O2
Molecular Weight374.91 g/mol
Exact Mass374.18
IUPAC Name1-[4-(methylamino)piperidin-1-yl]-2-(4-phenylphenoxy)propan-1-one;hydrochloride
SMILESCNC1CCN(C(=O)C(C)Oc2ccc(-c3ccccc3)cc2)CC1.Cl
InChIInChI=1S/C21H26N2O2.ClH/c1-16(21(24)23-14-12-19(22-2)13-15-23)25-20-10-8-18(9-11-20)17-6-4-3-5-7-17;/h3-11,16,19,22H,12-15H2,1-2H3;1H
InChIKeyBXCBJYUYTZTXEO-UHFFFAOYSA-N
XLogP3.75
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.91
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-hydroxypiperidin-1-yl)-2-(4-phenylphenoxy)propan-1-one
CID 110888002
2-(4-methoxyphenoxy)-1-[4-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119563255
1-(4-aminopiperidin-1-yl)-2-(4-phenylphenoxy)propan-1-one
CID 119376748
2-(4-phenylphenoxy)-1-[4-[2-(4-phenylphenoxy)propanoyl]-1,4-diazepan-1-yl]propan-1-one
CID 4981282
(2S)-1-morpholin-4-yl-2-(4-phenylphenoxy)propan-1-one
CID 734825
2-(3-bromophenoxy)-1-[4-(methylamino)piperidin-1-yl]propan-1-one
CID 119562871
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(4-phenylphenoxy)propan-1-one
CID 119639248
(2R)-1-(4-methylpiperidin-1-yl)-2-phenoxypropan-1-one
CID 670229
1-[3-(methylaminomethyl)piperidin-1-yl]-2-(4-phenylphenoxy)propan-1-one
CID 119398780
methyl 1-(2-phenoxypropanoyl)piperidine-4-carboxylate
CID 3927625
1-morpholin-4-yl-2-[4-[2-(4-phenylphenoxy)propanoyl]piperazin-1-yl]ethane-1,2-dione
CID 55607691
N-[1-[2-(4-methoxyphenoxy)propanoyl]piperidin-4-yl]benzenesulfonamide
CID 55504753

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methylamino)piperidin-1-yl]-2-(4-phenylphenoxy)propan-1-one;hydrochloride?
The IUPAC name of 1-[4-(methylamino)piperidin-1-yl]-2-(4-phenylphenoxy)propan-1-one;hydrochloride (CID 119563868) is 1-[4-(methylamino)piperidin-1-yl]-2-(4-phenylphenoxy)propan-1-one;hydrochloride.
What is the SMILES notation for 1-[4-(methylamino)piperidin-1-yl]-2-(4-phenylphenoxy)propan-1-one;hydrochloride?
The canonical SMILES for 1-[4-(methylamino)piperidin-1-yl]-2-(4-phenylphenoxy)propan-1-one;hydrochloride is CNC1CCN(C(=O)C(C)Oc2ccc(-c3ccccc3)cc2)CC1.Cl.
What is the InChIKey of 1-[4-(methylamino)piperidin-1-yl]-2-(4-phenylphenoxy)propan-1-one;hydrochloride?
The InChIKey is BXCBJYUYTZTXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2.ClH/c1-16(21(24)23-14-12-19(22-2)13-15-23)25-20-10-8-18(9-11-20)17-6-4-3-5-7-17;/h3-11,16,19,22H,12-15H2,1-2H3;1H.
What are the key properties of 1-[4-(methylamino)piperidin-1-yl]-2-(4-phenylphenoxy)propan-1-one;hydrochloride?
1-[4-(methylamino)piperidin-1-yl]-2-(4-phenylphenoxy)propan-1-one;hydrochloride has a molecular weight of 374.91 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methylamino)piperidin-1-yl]-2-(4-phenylphenoxy)propan-1-one;hydrochloride is sourced from PubChem (CID 119563868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).