[4-(aminomethyl)-4-methylpiperidin-1-yl]-(2-tert-butylphenyl)methanone

C18H28N2O — CID 107160173

IUPAC[4-(aminomethyl)-4-methylpiperidin-1-yl]-(2-tert-butylphenyl)methanone
SMILESCC1(CN)CCN(C(=O)c2ccccc2C(C)(C)C)CC1
InChIInChI=1S/C18H28N2O/c1-17(2,3)15-8-6-5-7-14(15)16(21)20-11-9-18(4,13-19)10-12-20/h5-8H,9-13,19H2,1-4H3
InChIKeySGRNEGOMBJGTDI-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.19
Rot. Bonds2

About [4-(aminomethyl)-4-methylpiperidin-1-yl]-(2-tert-butylphenyl)methanone

[4-(aminomethyl)-4-methylpiperidin-1-yl]-(2-tert-butylphenyl)methanone (PubChem CID 107160173) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is [4-(aminomethyl)-4-methylpiperidin-1-yl]-(2-tert-butylphenyl)methanone.

Molecular Properties

Compound Name[4-(aminomethyl)-4-methylpiperidin-1-yl]-(2-tert-butylphenyl)methanone
PubChem CID107160173
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name[4-(aminomethyl)-4-methylpiperidin-1-yl]-(2-tert-butylphenyl)methanone
SMILESCC1(CN)CCN(C(=O)c2ccccc2C(C)(C)C)CC1
InChIInChI=1S/C18H28N2O/c1-17(2,3)15-8-6-5-7-14(15)16(21)20-11-9-18(4,13-19)10-12-20/h5-8H,9-13,19H2,1-4H3
InChIKeySGRNEGOMBJGTDI-UHFFFAOYSA-N
XLogP3.19
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [4-(aminomethyl)-4-methylpiperidin-1-yl]-(2-tert-butylphenyl)methanone with MolForge

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Related Compounds

(2-tert-butylphenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103820491
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(2-tert-butylphenyl)methanone
CID 114960434
[4-(aminomethyl)-4-methylpiperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 107160131
(4-hydroxy-4-methylpiperidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 80707552
[4-(aminomethyl)-4-methylpiperidin-1-yl]-(2,6-dimethoxyphenyl)methanone
CID 107159956
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(2-methoxyphenyl)-2-methylpropan-1-one;hydrochloride
CID 120804684
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2-propan-2-yloxyphenyl)methanone
CID 120804729
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2-nitrophenyl)methanone;hydrochloride
CID 120804354
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2,3-difluorophenyl)methanone
CID 120805675
N-[2-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]thiophene-2-carboxamide
CID 120806601
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2-piperidin-1-ylsulfonylphenyl)methanone;hydrochloride
CID 120805940
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2,3-dichlorophenyl)methanone;hydrochloride
CID 120806072

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)-4-methylpiperidin-1-yl]-(2-tert-butylphenyl)methanone?
The IUPAC name of [4-(aminomethyl)-4-methylpiperidin-1-yl]-(2-tert-butylphenyl)methanone (CID 107160173) is [4-(aminomethyl)-4-methylpiperidin-1-yl]-(2-tert-butylphenyl)methanone.
What is the SMILES notation for [4-(aminomethyl)-4-methylpiperidin-1-yl]-(2-tert-butylphenyl)methanone?
The canonical SMILES for [4-(aminomethyl)-4-methylpiperidin-1-yl]-(2-tert-butylphenyl)methanone is CC1(CN)CCN(C(=O)c2ccccc2C(C)(C)C)CC1.
What is the InChIKey of [4-(aminomethyl)-4-methylpiperidin-1-yl]-(2-tert-butylphenyl)methanone?
The InChIKey is SGRNEGOMBJGTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-17(2,3)15-8-6-5-7-14(15)16(21)20-11-9-18(4,13-19)10-12-20/h5-8H,9-13,19H2,1-4H3.
What are the key properties of [4-(aminomethyl)-4-methylpiperidin-1-yl]-(2-tert-butylphenyl)methanone?
[4-(aminomethyl)-4-methylpiperidin-1-yl]-(2-tert-butylphenyl)methanone has a molecular weight of 288.43 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)-4-methylpiperidin-1-yl]-(2-tert-butylphenyl)methanone is sourced from PubChem (CID 107160173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).