N-(2-ethoxy-2-methylpropyl)-1-phenylpiperidin-4-amine

C17H28N2O — CID 102613559

IUPACN-(2-ethoxy-2-methylpropyl)-1-phenylpiperidin-4-amine
SMILESCCOC(C)(C)CNC1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H28N2O/c1-4-20-17(2,3)14-18-15-10-12-19(13-11-15)16-8-6-5-7-9-16/h5-9,15,18H,4,10-14H2,1-3H3
InChIKeyHUVRBBXZXKLNBY-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.06
Rot. Bonds6

About N-(2-ethoxy-2-methylpropyl)-1-phenylpiperidin-4-amine

N-(2-ethoxy-2-methylpropyl)-1-phenylpiperidin-4-amine (PubChem CID 102613559) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-(2-ethoxy-2-methylpropyl)-1-phenylpiperidin-4-amine.

Molecular Properties

Compound NameN-(2-ethoxy-2-methylpropyl)-1-phenylpiperidin-4-amine
PubChem CID102613559
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-(2-ethoxy-2-methylpropyl)-1-phenylpiperidin-4-amine
SMILESCCOC(C)(C)CNC1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H28N2O/c1-4-20-17(2,3)14-18-15-10-12-19(13-11-15)16-8-6-5-7-9-16/h5-9,15,18H,4,10-14H2,1-3H3
InChIKeyHUVRBBXZXKLNBY-UHFFFAOYSA-N
XLogP3.06
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-3-[(1-phenylpiperidin-4-yl)amino]propan-1-ol
CID 103904032
N-(3,3-dimethylbutyl)-1-phenylpiperidin-4-amine
CID 103779062
N-but-2-ynyl-1-phenylpiperidin-4-amine
CID 103905898
2,2-dimethyl-4-[(1-phenylpiperidin-4-yl)amino]butanoic acid
CID 122127131
N-(3-cyclopropylpropyl)-1-phenylpiperidin-4-amine
CID 103902375
N-[(2-methylcyclopropyl)methyl]-1-phenylpiperidin-4-amine
CID 103779083
N-[(3-methyl-2-pyridinyl)methyl]-1-phenylpiperidin-4-amine
CID 103782068
2-methyl-1-[(1-pyridin-4-ylpiperidin-4-yl)amino]butan-2-ol
CID 65108384
4-tert-butyl-1-phenylpiperidine
CID 612454
N-(2-ethoxy-2-methylpropyl)-3-(3-fluorophenyl)cyclobutan-1-amine
CID 114940872
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-phenylpiperidin-4-amine
CID 103096785
1-phenyl-N-(2-pyridin-2-ylethyl)piperidin-4-amine
CID 103775425

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-2-methylpropyl)-1-phenylpiperidin-4-amine?
The IUPAC name of N-(2-ethoxy-2-methylpropyl)-1-phenylpiperidin-4-amine (CID 102613559) is N-(2-ethoxy-2-methylpropyl)-1-phenylpiperidin-4-amine.
What is the SMILES notation for N-(2-ethoxy-2-methylpropyl)-1-phenylpiperidin-4-amine?
The canonical SMILES for N-(2-ethoxy-2-methylpropyl)-1-phenylpiperidin-4-amine is CCOC(C)(C)CNC1CCN(c2ccccc2)CC1.
What is the InChIKey of N-(2-ethoxy-2-methylpropyl)-1-phenylpiperidin-4-amine?
The InChIKey is HUVRBBXZXKLNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-20-17(2,3)14-18-15-10-12-19(13-11-15)16-8-6-5-7-9-16/h5-9,15,18H,4,10-14H2,1-3H3.
What are the key properties of N-(2-ethoxy-2-methylpropyl)-1-phenylpiperidin-4-amine?
N-(2-ethoxy-2-methylpropyl)-1-phenylpiperidin-4-amine has a molecular weight of 276.42 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-2-methylpropyl)-1-phenylpiperidin-4-amine is sourced from PubChem (CID 102613559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).