(4-amino-3-methoxyphenyl)-(4-tert-butylpiperidin-1-yl)methanone

C17H26N2O2 — CID 90103540

IUPAC(4-amino-3-methoxyphenyl)-(4-tert-butylpiperidin-1-yl)methanone
SMILESCOc1cc(C(=O)N2CCC(C(C)(C)C)CC2)ccc1N
InChIInChI=1S/C17H26N2O2/c1-17(2,3)13-7-9-19(10-8-13)16(20)12-5-6-14(18)15(11-12)21-4/h5-6,11,13H,7-10,18H2,1-4H3
InChIKeyCEMUSHIPHMWQOM-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.18
Rot. Bonds2

About (4-amino-3-methoxyphenyl)-(4-tert-butylpiperidin-1-yl)methanone

(4-amino-3-methoxyphenyl)-(4-tert-butylpiperidin-1-yl)methanone (PubChem CID 90103540) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is (4-amino-3-methoxyphenyl)-(4-tert-butylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-3-methoxyphenyl)-(4-tert-butylpiperidin-1-yl)methanone
PubChem CID90103540
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name(4-amino-3-methoxyphenyl)-(4-tert-butylpiperidin-1-yl)methanone
SMILESCOc1cc(C(=O)N2CCC(C(C)(C)C)CC2)ccc1N
InChIInChI=1S/C17H26N2O2/c1-17(2,3)13-7-9-19(10-8-13)16(20)12-5-6-14(18)15(11-12)21-4/h5-6,11,13H,7-10,18H2,1-4H3
InChIKeyCEMUSHIPHMWQOM-UHFFFAOYSA-N
XLogP3.18
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(3-amino-4-methylphenyl)-(4-tert-butylpiperidin-1-yl)methanone
CID 62091781
(4-amino-3-methoxyphenyl)-(4-propan-2-ylazepan-1-yl)methanone
CID 104782972
(4-amino-3-methoxyphenyl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 114796729
[4-(4-tert-butylcyclohexyl)piperazin-1-yl]-(4-hydroxy-3-methoxyphenyl)methanone
CID 162670595
(4-amino-3-methoxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 90104243
(4-tert-butylpiperidin-1-yl)-(2,3-dihydro-1H-isoindol-5-yl)methanone
CID 103998831
(4-amino-3-methoxyphenyl)-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)methanone
CID 118286378
(4-amino-3-methoxyphenyl)-(3,3-dimethylpiperidin-1-yl)methanone
CID 104782959
(4-amino-3-methoxyphenyl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 107210005
4-amino-3-methoxybenzoic acid;ethane
CID 91282219
(4-tert-butylpiperidin-1-yl)-(3-hydroxy-4-iodophenyl)methanone
CID 104628553
4-(4-amino-3-methoxybenzoyl)-1-methylpiperazin-2-one
CID 104782996

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-methoxyphenyl)-(4-tert-butylpiperidin-1-yl)methanone?
The IUPAC name of (4-amino-3-methoxyphenyl)-(4-tert-butylpiperidin-1-yl)methanone (CID 90103540) is (4-amino-3-methoxyphenyl)-(4-tert-butylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-amino-3-methoxyphenyl)-(4-tert-butylpiperidin-1-yl)methanone?
The canonical SMILES for (4-amino-3-methoxyphenyl)-(4-tert-butylpiperidin-1-yl)methanone is COc1cc(C(=O)N2CCC(C(C)(C)C)CC2)ccc1N.
What is the InChIKey of (4-amino-3-methoxyphenyl)-(4-tert-butylpiperidin-1-yl)methanone?
The InChIKey is CEMUSHIPHMWQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-17(2,3)13-7-9-19(10-8-13)16(20)12-5-6-14(18)15(11-12)21-4/h5-6,11,13H,7-10,18H2,1-4H3.
What are the key properties of (4-amino-3-methoxyphenyl)-(4-tert-butylpiperidin-1-yl)methanone?
(4-amino-3-methoxyphenyl)-(4-tert-butylpiperidin-1-yl)methanone has a molecular weight of 290.41 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-methoxyphenyl)-(4-tert-butylpiperidin-1-yl)methanone is sourced from PubChem (CID 90103540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).