N-(2,2-dimethylpropyl)-5-ethyl-1-phenylpiperidin-3-amine

C18H30N2 — CID 83995125

IUPACN-(2,2-dimethylpropyl)-5-ethyl-1-phenylpiperidin-3-amine
SMILESCCC1CC(NCC(C)(C)C)CN(c2ccccc2)C1
InChIInChI=1S/C18H30N2/c1-5-15-11-16(19-14-18(2,3)4)13-20(12-15)17-9-7-6-8-10-17/h6-10,15-16,19H,5,11-14H2,1-4H3
InChIKeyAWRUXJJAXDEIGV-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.93
Rot. Bonds4

About N-(2,2-dimethylpropyl)-5-ethyl-1-phenylpiperidin-3-amine

N-(2,2-dimethylpropyl)-5-ethyl-1-phenylpiperidin-3-amine (PubChem CID 83995125) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-5-ethyl-1-phenylpiperidin-3-amine.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-5-ethyl-1-phenylpiperidin-3-amine
PubChem CID83995125
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-(2,2-dimethylpropyl)-5-ethyl-1-phenylpiperidin-3-amine
SMILESCCC1CC(NCC(C)(C)C)CN(c2ccccc2)C1
InChIInChI=1S/C18H30N2/c1-5-15-11-16(19-14-18(2,3)4)13-20(12-15)17-9-7-6-8-10-17/h6-10,15-16,19H,5,11-14H2,1-4H3
InChIKeyAWRUXJJAXDEIGV-UHFFFAOYSA-N
XLogP3.93
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5-(2,2-dimethylpropylamino)-1-phenylpiperidin-3-yl]ethanol
CID 83995129
N-(2,2-dimethylpropyl)-5-ethyl-1-(3-fluorophenyl)piperidin-3-amine
CID 83995163
N-benzyl-5-ethyl-1-(4-methylphenyl)piperidin-3-amine
CID 83993793
2-[5-(ethylamino)-1-phenylpiperidin-3-yl]ethanol
CID 83990423
1-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-5-methylpiperidin-3-amine
CID 83995167
2-[5-(2,2-dimethylpropylamino)-1-thiophen-3-ylpiperidin-3-yl]ethanol
CID 83995156
N-(2,2-difluoroethyl)-5-ethyl-1-(3-fluorophenyl)piperidin-3-amine
CID 83993088
N-(cyclopentylmethyl)-5-methyl-1-phenylpiperidin-3-amine
CID 83997890
N-(cyclopentylmethyl)-5-ethyl-1-(3-fluorophenyl)piperidin-3-amine
CID 83997929
N-(cyclohexylmethyl)-5-ethyl-1-(3-fluorophenyl)piperidin-3-amine
CID 83998621
N-(1-phenyl-5-propylpiperidin-3-yl)acetamide
CID 112541852
5-ethyl-N-(2-methylpropyl)-1-thiophen-3-ylpiperidin-3-amine
CID 83994460

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-5-ethyl-1-phenylpiperidin-3-amine?
The IUPAC name of N-(2,2-dimethylpropyl)-5-ethyl-1-phenylpiperidin-3-amine (CID 83995125) is N-(2,2-dimethylpropyl)-5-ethyl-1-phenylpiperidin-3-amine.
What is the SMILES notation for N-(2,2-dimethylpropyl)-5-ethyl-1-phenylpiperidin-3-amine?
The canonical SMILES for N-(2,2-dimethylpropyl)-5-ethyl-1-phenylpiperidin-3-amine is CCC1CC(NCC(C)(C)C)CN(c2ccccc2)C1.
What is the InChIKey of N-(2,2-dimethylpropyl)-5-ethyl-1-phenylpiperidin-3-amine?
The InChIKey is AWRUXJJAXDEIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-5-15-11-16(19-14-18(2,3)4)13-20(12-15)17-9-7-6-8-10-17/h6-10,15-16,19H,5,11-14H2,1-4H3.
What are the key properties of N-(2,2-dimethylpropyl)-5-ethyl-1-phenylpiperidin-3-amine?
N-(2,2-dimethylpropyl)-5-ethyl-1-phenylpiperidin-3-amine has a molecular weight of 274.45 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-5-ethyl-1-phenylpiperidin-3-amine is sourced from PubChem (CID 83995125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).