1-(4-tert-butylphenyl)-N-ethyl-2-piperidin-1-ylethanamine

C19H32N2 — CID 63466191

IUPAC1-(4-tert-butylphenyl)-N-ethyl-2-piperidin-1-ylethanamine
SMILESCCNC(CN1CCCCC1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H32N2/c1-5-20-18(15-21-13-7-6-8-14-21)16-9-11-17(12-10-16)19(2,3)4/h9-12,18,20H,5-8,13-15H2,1-4H3
InChIKeyCNWORUQHVPRMJU-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.12
Rot. Bonds5

About 1-(4-tert-butylphenyl)-N-ethyl-2-piperidin-1-ylethanamine

1-(4-tert-butylphenyl)-N-ethyl-2-piperidin-1-ylethanamine (PubChem CID 63466191) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-N-ethyl-2-piperidin-1-ylethanamine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-N-ethyl-2-piperidin-1-ylethanamine
PubChem CID63466191
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name1-(4-tert-butylphenyl)-N-ethyl-2-piperidin-1-ylethanamine
SMILESCCNC(CN1CCCCC1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H32N2/c1-5-20-18(15-21-13-7-6-8-14-21)16-9-11-17(12-10-16)19(2,3)4/h9-12,18,20H,5-8,13-15H2,1-4H3
InChIKeyCNWORUQHVPRMJU-UHFFFAOYSA-N
XLogP4.12
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 ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-N-ethyl-1-phenyl-2-pyrrolidin-1-ylethanamine;molecular hydrogen
CID 143114287
1-[2-(4-tert-butylphenyl)propyl]piperidine
CID 73116860
1-[2-(4-tert-butylphenyl)-2-chloroethyl]pyrrolidine
CID 82214702
N-[2-(azepan-1-yl)-1-(4-ethylphenyl)ethyl]propan-1-amine
CID 63466733
N-[(1R)-1-phenyl-2-piperidin-1-ylethyl]propan-1-amine
CID 58330527
1-(4-bromophenyl)-N-ethyl-3-piperidin-1-ylpropan-1-amine
CID 62618198
1-(azepan-1-yl)-3-(4-tert-butylphenyl)propan-2-amine;dihydrochloride
CID 10155485
2-(4-tert-butylpiperidin-1-yl)-N-ethyl-1-phenylethanamine
CID 63468213
1-(4-tert-butylphenyl)-N-ethyl-2-(oxolan-2-yl)ethanamine
CID 62550488
(1R)-N-(2-ethoxyethyl)-1-phenyl-2-piperidin-1-ylethanamine
CID 89003231
2-(4,4-dimethylazepan-1-yl)-N-ethyl-1-phenylethanamine
CID 65280974
N-methyl-1-(4-methylphenyl)-2-pyrrolidin-1-ylethanamine
CID 19439989

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-N-ethyl-2-piperidin-1-ylethanamine?
The IUPAC name of 1-(4-tert-butylphenyl)-N-ethyl-2-piperidin-1-ylethanamine (CID 63466191) is 1-(4-tert-butylphenyl)-N-ethyl-2-piperidin-1-ylethanamine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-N-ethyl-2-piperidin-1-ylethanamine?
The canonical SMILES for 1-(4-tert-butylphenyl)-N-ethyl-2-piperidin-1-ylethanamine is CCNC(CN1CCCCC1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-N-ethyl-2-piperidin-1-ylethanamine?
The InChIKey is CNWORUQHVPRMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-5-20-18(15-21-13-7-6-8-14-21)16-9-11-17(12-10-16)19(2,3)4/h9-12,18,20H,5-8,13-15H2,1-4H3.
What are the key properties of 1-(4-tert-butylphenyl)-N-ethyl-2-piperidin-1-ylethanamine?
1-(4-tert-butylphenyl)-N-ethyl-2-piperidin-1-ylethanamine has a molecular weight of 288.48 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-N-ethyl-2-piperidin-1-ylethanamine is sourced from PubChem (CID 63466191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).