1-tert-butyl-N-[2-(4-methoxyphenyl)ethyl]-N-methylpiperidin-4-amine

C19H32N2O — CID 118531494

IUPAC1-tert-butyl-N-[2-(4-methoxyphenyl)ethyl]-N-methylpiperidin-4-amine
SMILESCOc1ccc(CCN(C)C2CCN(C(C)(C)C)CC2)cc1
InChIInChI=1S/C19H32N2O/c1-19(2,3)21-14-11-17(12-15-21)20(4)13-10-16-6-8-18(22-5)9-7-16/h6-9,17H,10-15H2,1-5H3
InChIKeyMHZPBMRPWVGKBV-UHFFFAOYSA-N
MW304.48 g/mol
LogP3.43
Rot. Bonds5

About 1-tert-butyl-N-[2-(4-methoxyphenyl)ethyl]-N-methylpiperidin-4-amine

1-tert-butyl-N-[2-(4-methoxyphenyl)ethyl]-N-methylpiperidin-4-amine (PubChem CID 118531494) has the molecular formula C19H32N2O and a molecular weight of 304.48 g/mol. Its IUPAC name is 1-tert-butyl-N-[2-(4-methoxyphenyl)ethyl]-N-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-tert-butyl-N-[2-(4-methoxyphenyl)ethyl]-N-methylpiperidin-4-amine
PubChem CID118531494
Molecular FormulaC19H32N2O
Molecular Weight304.48 g/mol
Exact Mass304.25
IUPAC Name1-tert-butyl-N-[2-(4-methoxyphenyl)ethyl]-N-methylpiperidin-4-amine
SMILESCOc1ccc(CCN(C)C2CCN(C(C)(C)C)CC2)cc1
InChIInChI=1S/C19H32N2O/c1-19(2,3)21-14-11-17(12-15-21)20(4)13-10-16-6-8-18(22-5)9-7-16/h6-9,17H,10-15H2,1-5H3
InChIKeyMHZPBMRPWVGKBV-UHFFFAOYSA-N
XLogP3.43
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119913713
N-[2-(4-methoxyphenyl)ethyl]-N-methylazetidin-3-amine
CID 66187359
N-[2-(4-methoxyphenyl)ethyl]-N-methylpiperidin-3-amine
CID 63642664
1-tert-butyl-4-(4-methoxyphenyl)piperidine
CID 58245809
N-[(4-butoxyphenyl)methyl]-1-tert-butyl-N-methylpiperidin-4-amine
CID 118531507
2-N-[2-(4-methoxyphenyl)ethyl]-2-N-methylcyclohexane-1,2-diamine
CID 102639912
1-tert-butylpiperidine;4-(2,2-dimethylpropyl)-1-[2-(4-methoxyphenyl)ethyl]piperidine;methane;N,N,4,4-tetramethylpentan-1-amine
CID 159084884
N-(2-bromoethyl)-N-[2-(4-methoxyphenyl)ethyl]cyclopropanamine
CID 80668431
[4-[2-(4-methoxyphenyl)ethyl-methylamino]piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone
CID 23285036
2-[2-(4-methoxyphenyl)ethyl-methylamino]-2-methylpropanenitrile
CID 115129671
cyclohexanol;ethane;2-(4-methoxyphenyl)-N,N-dimethylethanamine
CID 143482708
4-N-ethyl-4-N-[2-(4-methoxyphenyl)ethyl]cyclohexane-1,4-diamine
CID 79115451

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-[2-(4-methoxyphenyl)ethyl]-N-methylpiperidin-4-amine?
The IUPAC name of 1-tert-butyl-N-[2-(4-methoxyphenyl)ethyl]-N-methylpiperidin-4-amine (CID 118531494) is 1-tert-butyl-N-[2-(4-methoxyphenyl)ethyl]-N-methylpiperidin-4-amine.
What is the SMILES notation for 1-tert-butyl-N-[2-(4-methoxyphenyl)ethyl]-N-methylpiperidin-4-amine?
The canonical SMILES for 1-tert-butyl-N-[2-(4-methoxyphenyl)ethyl]-N-methylpiperidin-4-amine is COc1ccc(CCN(C)C2CCN(C(C)(C)C)CC2)cc1.
What is the InChIKey of 1-tert-butyl-N-[2-(4-methoxyphenyl)ethyl]-N-methylpiperidin-4-amine?
The InChIKey is MHZPBMRPWVGKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O/c1-19(2,3)21-14-11-17(12-15-21)20(4)13-10-16-6-8-18(22-5)9-7-16/h6-9,17H,10-15H2,1-5H3.
What are the key properties of 1-tert-butyl-N-[2-(4-methoxyphenyl)ethyl]-N-methylpiperidin-4-amine?
1-tert-butyl-N-[2-(4-methoxyphenyl)ethyl]-N-methylpiperidin-4-amine has a molecular weight of 304.48 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-[2-(4-methoxyphenyl)ethyl]-N-methylpiperidin-4-amine is sourced from PubChem (CID 118531494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).