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

C18H31N3 — CID 83995503

IUPAC1-(2-aminoethyl)-N-(2,2-dimethylpropyl)-5-phenylpiperidin-3-amine
SMILESCC(C)(C)CNC1CC(c2ccccc2)CN(CCN)C1
InChIInChI=1S/C18H31N3/c1-18(2,3)14-20-17-11-16(12-21(13-17)10-9-19)15-7-5-4-6-8-15/h4-8,16-17,20H,9-14,19H2,1-3H3
InChIKeyIIJAVUBLHZZTDB-UHFFFAOYSA-N
MW289.47 g/mol
LogP2.44
Rot. Bonds5

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

1-(2-aminoethyl)-N-(2,2-dimethylpropyl)-5-phenylpiperidin-3-amine (PubChem CID 83995503) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-(2,2-dimethylpropyl)-5-phenylpiperidin-3-amine.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-(2,2-dimethylpropyl)-5-phenylpiperidin-3-amine
PubChem CID83995503
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC Name1-(2-aminoethyl)-N-(2,2-dimethylpropyl)-5-phenylpiperidin-3-amine
SMILESCC(C)(C)CNC1CC(c2ccccc2)CN(CCN)C1
InChIInChI=1S/C18H31N3/c1-18(2,3)14-20-17-11-16(12-21(13-17)10-9-19)15-7-5-4-6-8-15/h4-8,16-17,20H,9-14,19H2,1-3H3
InChIKeyIIJAVUBLHZZTDB-UHFFFAOYSA-N
XLogP2.44
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-dimethylpropyl)-4-phenylcyclohexan-1-amine
CID 19381411
2-[3-(ethylamino)-5-phenylpiperidin-1-yl]ethanol
CID 83990743
2-[1-(2-aminoethyl)-5-(2,2-dimethylpropylamino)piperidin-3-yl]-1-cyclopropylethanol
CID 83995501
N-(2,2-dimethylpropyl)-5-ethyl-1-phenylpiperidin-3-amine
CID 83995125
3-[[(3-phenylcyclobutyl)amino]methyl]pentan-3-ol
CID 65108444
1-cyclopropyl-N-ethyl-5-phenylpiperidin-3-amine
CID 83990517
2,4-dimethyl-1-[(3-phenylcyclobutyl)amino]pentan-2-ol
CID 66181051
1-methyl-5-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 83992089
N-cyclohexyl-1-ethyl-5-phenylpiperidin-3-amine
CID 83999040
2-[5-(2,2-dimethylpropylamino)-1-phenylpiperidin-3-yl]ethanol
CID 83995129
(2S,4R)-2-tert-butyl-1-methyl-4-phenylpyrrolidine
CID 131847537
(3R,5S)-1,3-dimethyl-5-phenylpiperidine
CID 134927538

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-(2,2-dimethylpropyl)-5-phenylpiperidin-3-amine?
The IUPAC name of 1-(2-aminoethyl)-N-(2,2-dimethylpropyl)-5-phenylpiperidin-3-amine (CID 83995503) is 1-(2-aminoethyl)-N-(2,2-dimethylpropyl)-5-phenylpiperidin-3-amine.
What is the SMILES notation for 1-(2-aminoethyl)-N-(2,2-dimethylpropyl)-5-phenylpiperidin-3-amine?
The canonical SMILES for 1-(2-aminoethyl)-N-(2,2-dimethylpropyl)-5-phenylpiperidin-3-amine is CC(C)(C)CNC1CC(c2ccccc2)CN(CCN)C1.
What is the InChIKey of 1-(2-aminoethyl)-N-(2,2-dimethylpropyl)-5-phenylpiperidin-3-amine?
The InChIKey is IIJAVUBLHZZTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-18(2,3)14-20-17-11-16(12-21(13-17)10-9-19)15-7-5-4-6-8-15/h4-8,16-17,20H,9-14,19H2,1-3H3.
What are the key properties of 1-(2-aminoethyl)-N-(2,2-dimethylpropyl)-5-phenylpiperidin-3-amine?
1-(2-aminoethyl)-N-(2,2-dimethylpropyl)-5-phenylpiperidin-3-amine has a molecular weight of 289.47 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-(2,2-dimethylpropyl)-5-phenylpiperidin-3-amine is sourced from PubChem (CID 83995503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).