[3-(aminomethyl)-4-methylpiperidin-1-yl]-(4-tert-butylphenyl)methanone

C18H28N2O — CID 114960375

IUPAC[3-(aminomethyl)-4-methylpiperidin-1-yl]-(4-tert-butylphenyl)methanone
SMILESCC1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1CN
InChIInChI=1S/C18H28N2O/c1-13-9-10-20(12-15(13)11-19)17(21)14-5-7-16(8-6-14)18(2,3)4/h5-8,13,15H,9-12,19H2,1-4H3
InChIKeyOEQFNEYMGYRVIN-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.04
Rot. Bonds2

About [3-(aminomethyl)-4-methylpiperidin-1-yl]-(4-tert-butylphenyl)methanone

[3-(aminomethyl)-4-methylpiperidin-1-yl]-(4-tert-butylphenyl)methanone (PubChem CID 114960375) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is [3-(aminomethyl)-4-methylpiperidin-1-yl]-(4-tert-butylphenyl)methanone.

Molecular Properties

Compound Name[3-(aminomethyl)-4-methylpiperidin-1-yl]-(4-tert-butylphenyl)methanone
PubChem CID114960375
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name[3-(aminomethyl)-4-methylpiperidin-1-yl]-(4-tert-butylphenyl)methanone
SMILESCC1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1CN
InChIInChI=1S/C18H28N2O/c1-13-9-10-20(12-15(13)11-19)17(21)14-5-7-16(8-6-14)18(2,3)4/h5-8,13,15H,9-12,19H2,1-4H3
InChIKeyOEQFNEYMGYRVIN-UHFFFAOYSA-N
XLogP3.04
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-amino-3-methylpiperidin-1-yl)-(4-tert-butylphenyl)methanone
CID 79879858
(4-amino-3-methylpiperidin-1-yl)-(4-tert-butylphenyl)methanone;hydrochloride
CID 119592537
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(4-ethoxyphenyl)methanone
CID 114960591
(4-tert-butylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 58949513
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(3,5-dihydroxyphenyl)methanone
CID 107705273
(4-tert-butylphenyl)-(3-ethylpyrrolidin-1-yl)methanone
CID 159043850
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(3,5-difluorophenyl)methanone
CID 114960673
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(2-tert-butylphenyl)methanone
CID 114960434
(4-tert-butylphenyl)-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 121450401
(4-tert-butylphenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 110440237
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 114960623
(4-tert-butylphenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 119413934

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)-4-methylpiperidin-1-yl]-(4-tert-butylphenyl)methanone?
The IUPAC name of [3-(aminomethyl)-4-methylpiperidin-1-yl]-(4-tert-butylphenyl)methanone (CID 114960375) is [3-(aminomethyl)-4-methylpiperidin-1-yl]-(4-tert-butylphenyl)methanone.
What is the SMILES notation for [3-(aminomethyl)-4-methylpiperidin-1-yl]-(4-tert-butylphenyl)methanone?
The canonical SMILES for [3-(aminomethyl)-4-methylpiperidin-1-yl]-(4-tert-butylphenyl)methanone is CC1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1CN.
What is the InChIKey of [3-(aminomethyl)-4-methylpiperidin-1-yl]-(4-tert-butylphenyl)methanone?
The InChIKey is OEQFNEYMGYRVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-13-9-10-20(12-15(13)11-19)17(21)14-5-7-16(8-6-14)18(2,3)4/h5-8,13,15H,9-12,19H2,1-4H3.
What are the key properties of [3-(aminomethyl)-4-methylpiperidin-1-yl]-(4-tert-butylphenyl)methanone?
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(4-tert-butylphenyl)methanone has a molecular weight of 288.44 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)-4-methylpiperidin-1-yl]-(4-tert-butylphenyl)methanone is sourced from PubChem (CID 114960375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).