[4-(methoxymethyl)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone

C16H24N2O2 — CID 119546036

IUPAC[4-(methoxymethyl)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCN(C(=O)c2ccc(COC)cc2)CC1
InChIInChI=1S/C16H24N2O2/c1-17-11-13-7-9-18(10-8-13)16(19)15-5-3-14(4-6-15)12-20-2/h3-6,13,17H,7-12H2,1-2H3
InChIKeyHUTDIBRGTPHIDP-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.90
Rot. Bonds5

About [4-(methoxymethyl)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone

[4-(methoxymethyl)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone (PubChem CID 119546036) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is [4-(methoxymethyl)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(methoxymethyl)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
PubChem CID119546036
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name[4-(methoxymethyl)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCN(C(=O)c2ccc(COC)cc2)CC1
InChIInChI=1S/C16H24N2O2/c1-17-11-13-7-9-18(10-8-13)16(19)15-5-3-14(4-6-15)12-20-2/h3-6,13,17H,7-12H2,1-2H3
InChIKeyHUTDIBRGTPHIDP-UHFFFAOYSA-N
XLogP1.90
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(methoxymethyl)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119546035
[4-(methylaminomethyl)piperidin-1-yl]-(4-propylphenyl)methanone;hydrochloride
CID 119546057
[4-(methylaminomethyl)piperidin-1-yl]-phenylmethanone
CID 22983162
(4-iodophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119542556
[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-[4-(methoxymethyl)phenyl]methanone
CID 124611915
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-[4-(methoxymethyl)phenyl]methanone
CID 115746439
[4-(methylaminomethyl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 63248675
N-[4-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]acetamide;hydrochloride
CID 119542570
[(3S)-3-hydroxypyrrolidin-1-yl]-[4-(methoxymethyl)phenyl]methanone
CID 79029485
azepan-1-yl-[1-[4-(methoxymethyl)benzoyl]piperidin-4-yl]methanone
CID 134029877
[4-(difluoromethoxy)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63251080
[4-(methylaminomethyl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 119545556

Frequently Asked Questions

What is the IUPAC name of [4-(methoxymethyl)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone?
The IUPAC name of [4-(methoxymethyl)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone (CID 119546036) is [4-(methoxymethyl)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [4-(methoxymethyl)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone?
The canonical SMILES for [4-(methoxymethyl)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone is CNCC1CCN(C(=O)c2ccc(COC)cc2)CC1.
What is the InChIKey of [4-(methoxymethyl)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone?
The InChIKey is HUTDIBRGTPHIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-17-11-13-7-9-18(10-8-13)16(19)15-5-3-14(4-6-15)12-20-2/h3-6,13,17H,7-12H2,1-2H3.
What are the key properties of [4-(methoxymethyl)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone?
[4-(methoxymethyl)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone has a molecular weight of 276.38 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methoxymethyl)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 119546036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).