2-(4-tert-butylpiperidin-1-yl)-N-ethyl-1-phenylethanamine

C19H32N2 — CID 63468213

IUPAC2-(4-tert-butylpiperidin-1-yl)-N-ethyl-1-phenylethanamine
SMILESCCNC(CN1CCC(C(C)(C)C)CC1)c1ccccc1
InChIInChI=1S/C19H32N2/c1-5-20-18(16-9-7-6-8-10-16)15-21-13-11-17(12-14-21)19(2,3)4/h6-10,17-18,20H,5,11-15H2,1-4H3
InChIKeyTWJGKTRGDQKNEJ-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.10
Rot. Bonds5

About 2-(4-tert-butylpiperidin-1-yl)-N-ethyl-1-phenylethanamine

2-(4-tert-butylpiperidin-1-yl)-N-ethyl-1-phenylethanamine (PubChem CID 63468213) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 2-(4-tert-butylpiperidin-1-yl)-N-ethyl-1-phenylethanamine.

Molecular Properties

Compound Name2-(4-tert-butylpiperidin-1-yl)-N-ethyl-1-phenylethanamine
PubChem CID63468213
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name2-(4-tert-butylpiperidin-1-yl)-N-ethyl-1-phenylethanamine
SMILESCCNC(CN1CCC(C(C)(C)C)CC1)c1ccccc1
InChIInChI=1S/C19H32N2/c1-5-20-18(16-9-7-6-8-10-16)15-21-13-11-17(12-14-21)19(2,3)4/h6-10,17-18,20H,5,11-15H2,1-4H3
InChIKeyTWJGKTRGDQKNEJ-UHFFFAOYSA-N
XLogP4.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-phenyl-2-(4-propan-2-ylpiperidin-1-yl)ethanamine
CID 103495170
(1R)-N-ethyl-1-phenyl-2-pyrrolidin-1-ylethanamine;molecular hydrogen
CID 143114287
N-[1-phenyl-2-(4-propylpiperidin-1-yl)ethyl]propan-1-amine
CID 63469310
2-(4,4-dimethylazepan-1-yl)-N-ethyl-1-phenylethanamine
CID 65280974
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-N-ethyl-1-phenylethanamine
CID 63149781
1-(4-tert-butylphenyl)-N-ethyl-2-piperidin-1-ylethanamine
CID 63466191
N-ethyl-2-(2-methyl-1,4-oxazepan-4-yl)-1-phenylethanamine
CID 62986930
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-ethyl-1-phenylethanamine
CID 82746306
N-[(1R)-1-phenyl-2-piperidin-1-ylethyl]propan-1-amine
CID 58330527
(1S)-N-benzyl-1-phenyl-2-piperidin-1-ylethanamine
CID 11254892
N-ethyl-3-[4-(methoxymethyl)piperidin-1-yl]-1-phenylpropan-1-amine
CID 63971237
1-[2-(ethylamino)-2-phenylethyl]-3-methylpiperidin-2-one
CID 104680044

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylpiperidin-1-yl)-N-ethyl-1-phenylethanamine?
The IUPAC name of 2-(4-tert-butylpiperidin-1-yl)-N-ethyl-1-phenylethanamine (CID 63468213) is 2-(4-tert-butylpiperidin-1-yl)-N-ethyl-1-phenylethanamine.
What is the SMILES notation for 2-(4-tert-butylpiperidin-1-yl)-N-ethyl-1-phenylethanamine?
The canonical SMILES for 2-(4-tert-butylpiperidin-1-yl)-N-ethyl-1-phenylethanamine is CCNC(CN1CCC(C(C)(C)C)CC1)c1ccccc1.
What is the InChIKey of 2-(4-tert-butylpiperidin-1-yl)-N-ethyl-1-phenylethanamine?
The InChIKey is TWJGKTRGDQKNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-5-20-18(16-9-7-6-8-10-16)15-21-13-11-17(12-14-21)19(2,3)4/h6-10,17-18,20H,5,11-15H2,1-4H3.
What are the key properties of 2-(4-tert-butylpiperidin-1-yl)-N-ethyl-1-phenylethanamine?
2-(4-tert-butylpiperidin-1-yl)-N-ethyl-1-phenylethanamine has a molecular weight of 288.48 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylpiperidin-1-yl)-N-ethyl-1-phenylethanamine is sourced from PubChem (CID 63468213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).