(4-amino-3-methylpiperidin-1-yl)-(4-tert-butylphenyl)methanone

C17H26N2O — CID 79879858

IUPAC(4-amino-3-methylpiperidin-1-yl)-(4-tert-butylphenyl)methanone
SMILESCC1CN(C(=O)c2ccc(C(C)(C)C)cc2)CCC1N
InChIInChI=1S/C17H26N2O/c1-12-11-19(10-9-15(12)18)16(20)13-5-7-14(8-6-13)17(2,3)4/h5-8,12,15H,9-11,18H2,1-4H3
InChIKeyLUMZZZDGKTWJID-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.79
Rot. Bonds1

About (4-amino-3-methylpiperidin-1-yl)-(4-tert-butylphenyl)methanone

(4-amino-3-methylpiperidin-1-yl)-(4-tert-butylphenyl)methanone (PubChem CID 79879858) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is (4-amino-3-methylpiperidin-1-yl)-(4-tert-butylphenyl)methanone.

Molecular Properties

Compound Name(4-amino-3-methylpiperidin-1-yl)-(4-tert-butylphenyl)methanone
PubChem CID79879858
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name(4-amino-3-methylpiperidin-1-yl)-(4-tert-butylphenyl)methanone
SMILESCC1CN(C(=O)c2ccc(C(C)(C)C)cc2)CCC1N
InChIInChI=1S/C17H26N2O/c1-12-11-19(10-9-15(12)18)16(20)13-5-7-14(8-6-13)17(2,3)4/h5-8,12,15H,9-11,18H2,1-4H3
InChIKeyLUMZZZDGKTWJID-UHFFFAOYSA-N
XLogP2.79
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-amino-3-methylpiperidin-1-yl)-(4-tert-butylphenyl)methanone;hydrochloride
CID 119592537
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(4-tert-butylphenyl)methanone
CID 114960375
(4-amino-3-methylpiperidin-1-yl)-(3,4-dihydroxyphenyl)methanone
CID 107727567
(4-tert-butylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 58949513
(4-amino-3-methylpiperidin-1-yl)-(4-nitrophenyl)methanone;hydrochloride
CID 119592233
(3-aminopiperidin-1-yl)-(4-tert-butylphenyl)methanone;hydrochloride
CID 75526663
(4-tert-butylphenyl)-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 121450401
(4-tert-butylphenyl)-(3-ethylpyrrolidin-1-yl)methanone
CID 159043850
(4-tert-butylphenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 119413934
(3-amino-5-methylpiperidin-1-yl)-(4-tert-butylphenyl)methanone
CID 79994551
(4-amino-3-methylpiperidin-1-yl)-(1,3-benzodioxol-5-yl)methanone;hydrochloride
CID 119592466
[4-(4-tert-butylbenzoyl)piperazin-1-yl]-(4-tert-butylphenyl)methanone
CID 1241593

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-methylpiperidin-1-yl)-(4-tert-butylphenyl)methanone?
The IUPAC name of (4-amino-3-methylpiperidin-1-yl)-(4-tert-butylphenyl)methanone (CID 79879858) is (4-amino-3-methylpiperidin-1-yl)-(4-tert-butylphenyl)methanone.
What is the SMILES notation for (4-amino-3-methylpiperidin-1-yl)-(4-tert-butylphenyl)methanone?
The canonical SMILES for (4-amino-3-methylpiperidin-1-yl)-(4-tert-butylphenyl)methanone is CC1CN(C(=O)c2ccc(C(C)(C)C)cc2)CCC1N.
What is the InChIKey of (4-amino-3-methylpiperidin-1-yl)-(4-tert-butylphenyl)methanone?
The InChIKey is LUMZZZDGKTWJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-12-11-19(10-9-15(12)18)16(20)13-5-7-14(8-6-13)17(2,3)4/h5-8,12,15H,9-11,18H2,1-4H3.
What are the key properties of (4-amino-3-methylpiperidin-1-yl)-(4-tert-butylphenyl)methanone?
(4-amino-3-methylpiperidin-1-yl)-(4-tert-butylphenyl)methanone has a molecular weight of 274.41 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-methylpiperidin-1-yl)-(4-tert-butylphenyl)methanone is sourced from PubChem (CID 79879858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).