4-amino-1-[4-(methoxymethyl)piperidin-1-yl]-4-phenylbutan-1-one

C17H26N2O2 — CID 63978619

IUPAC4-amino-1-[4-(methoxymethyl)piperidin-1-yl]-4-phenylbutan-1-one
SMILESCOCC1CCN(C(=O)CCC(N)c2ccccc2)CC1
InChIInChI=1S/C17H26N2O2/c1-21-13-14-9-11-19(12-10-14)17(20)8-7-16(18)15-5-3-2-4-6-15/h2-6,14,16H,7-13,18H2,1H3
InChIKeyPZTAYUGMULTQFX-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.35
Rot. Bonds6

About 4-amino-1-[4-(methoxymethyl)piperidin-1-yl]-4-phenylbutan-1-one

4-amino-1-[4-(methoxymethyl)piperidin-1-yl]-4-phenylbutan-1-one (PubChem CID 63978619) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-amino-1-[4-(methoxymethyl)piperidin-1-yl]-4-phenylbutan-1-one.

Molecular Properties

Compound Name4-amino-1-[4-(methoxymethyl)piperidin-1-yl]-4-phenylbutan-1-one
PubChem CID63978619
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name4-amino-1-[4-(methoxymethyl)piperidin-1-yl]-4-phenylbutan-1-one
SMILESCOCC1CCN(C(=O)CCC(N)c2ccccc2)CC1
InChIInChI=1S/C17H26N2O2/c1-21-13-14-9-11-19(12-10-14)17(20)8-7-16(18)15-5-3-2-4-6-15/h2-6,14,16H,7-13,18H2,1H3
InChIKeyPZTAYUGMULTQFX-UHFFFAOYSA-N
XLogP2.35
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-[4-(dimethylamino)piperidin-1-yl]-4-phenylbutan-1-one
CID 63323897
2-amino-1-[4-(methoxymethyl)piperidin-1-yl]-2-phenylethanone
CID 63979773
4-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-phenylbutan-1-one
CID 107217247
4-amino-1-(3-hydroxypyrrolidin-1-yl)-4-phenylbutan-1-one
CID 63323919
1-[4-(methoxymethyl)piperidin-1-yl]-4-phenylbutane-1,4-dione
CID 121091399
2-[4-(methoxymethyl)piperidin-1-yl]-1-phenylethanamine
CID 63973658
(3R)-1-[4-(methoxymethyl)piperidin-1-yl]-3-(2-methylphenyl)-3-phenylpropan-1-one
CID 42245855
2-chloro-1-[4-(methoxymethyl)piperidin-1-yl]-2-phenylethanone
CID 63972711
2-chloro-1-[3-(methoxymethyl)pyrrolidin-1-yl]-2-phenylethanone
CID 64569488
1-(4-amino-4-phenylbutanoyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79371894
4-amino-1-(3-hydroxypiperidin-1-yl)-4-phenylbutan-1-one
CID 55204912
(4S)-4-amino-1-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-4-phenylbutan-1-one
CID 125146304

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[4-(methoxymethyl)piperidin-1-yl]-4-phenylbutan-1-one?
The IUPAC name of 4-amino-1-[4-(methoxymethyl)piperidin-1-yl]-4-phenylbutan-1-one (CID 63978619) is 4-amino-1-[4-(methoxymethyl)piperidin-1-yl]-4-phenylbutan-1-one.
What is the SMILES notation for 4-amino-1-[4-(methoxymethyl)piperidin-1-yl]-4-phenylbutan-1-one?
The canonical SMILES for 4-amino-1-[4-(methoxymethyl)piperidin-1-yl]-4-phenylbutan-1-one is COCC1CCN(C(=O)CCC(N)c2ccccc2)CC1.
What is the InChIKey of 4-amino-1-[4-(methoxymethyl)piperidin-1-yl]-4-phenylbutan-1-one?
The InChIKey is PZTAYUGMULTQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-21-13-14-9-11-19(12-10-14)17(20)8-7-16(18)15-5-3-2-4-6-15/h2-6,14,16H,7-13,18H2,1H3.
What are the key properties of 4-amino-1-[4-(methoxymethyl)piperidin-1-yl]-4-phenylbutan-1-one?
4-amino-1-[4-(methoxymethyl)piperidin-1-yl]-4-phenylbutan-1-one has a molecular weight of 290.41 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[4-(methoxymethyl)piperidin-1-yl]-4-phenylbutan-1-one is sourced from PubChem (CID 63978619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).