1-[4-(4-tert-butylpiperidin-1-yl)phenyl]-N-ethylethanamine

C19H32N2 — CID 63532857

IUPAC1-[4-(4-tert-butylpiperidin-1-yl)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(N2CCC(C(C)(C)C)CC2)cc1
InChIInChI=1S/C19H32N2/c1-6-20-15(2)16-7-9-18(10-8-16)21-13-11-17(12-14-21)19(3,4)5/h7-10,15,17,20H,6,11-14H2,1-5H3
InChIKeyOTKFSAHBMJJGEO-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.62
Rot. Bonds4

About 1-[4-(4-tert-butylpiperidin-1-yl)phenyl]-N-ethylethanamine

1-[4-(4-tert-butylpiperidin-1-yl)phenyl]-N-ethylethanamine (PubChem CID 63532857) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 1-[4-(4-tert-butylpiperidin-1-yl)phenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[4-(4-tert-butylpiperidin-1-yl)phenyl]-N-ethylethanamine
PubChem CID63532857
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name1-[4-(4-tert-butylpiperidin-1-yl)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(N2CCC(C(C)(C)C)CC2)cc1
InChIInChI=1S/C19H32N2/c1-6-20-15(2)16-7-9-18(10-8-16)21-13-11-17(12-14-21)19(3,4)5/h7-10,15,17,20H,6,11-14H2,1-5H3
InChIKeyOTKFSAHBMJJGEO-UHFFFAOYSA-N
XLogP4.62
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-1-(4-pyrrolidin-1-ylphenyl)ethanamine
CID 43283918
1-[4-[1-(ethylamino)ethyl]phenyl]pyrrolidin-3-ol
CID 55130210
(1S)-1-[4-(4-tert-butylpiperidin-1-yl)phenyl]ethanamine
CID 63368975
(1S)-1-[4-(4-tert-butylpiperidin-1-yl)phenyl]ethanol
CID 63371777
(1R)-1-[4-(4-tert-butylpiperidin-1-yl)phenyl]ethanol
CID 78940931
N-[1-[4-(3-tert-butylazetidin-1-yl)phenyl]ethyl]propan-1-amine
CID 79686737
1-[4-[4-[1-(ethylamino)ethyl]phenyl]piperazin-1-yl]ethanone
CID 43284244
N-ethyl-1-[4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]ethanamine
CID 102958936
1-[4-(4-tert-butylpiperidin-1-yl)phenyl]-N-methylmethanamine
CID 62091433
1-[4-(4-tert-butylpiperidin-1-yl)phenyl]propan-2-amine
CID 63794137
[1-[4-[1-(ethylamino)ethyl]phenyl]piperidin-3-yl]methanol
CID 43590380
1-[2-(4-tert-butylpiperidin-1-yl)-1,3-thiazol-5-yl]-N-ethylethanamine
CID 62753720

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-tert-butylpiperidin-1-yl)phenyl]-N-ethylethanamine?
The IUPAC name of 1-[4-(4-tert-butylpiperidin-1-yl)phenyl]-N-ethylethanamine (CID 63532857) is 1-[4-(4-tert-butylpiperidin-1-yl)phenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[4-(4-tert-butylpiperidin-1-yl)phenyl]-N-ethylethanamine?
The canonical SMILES for 1-[4-(4-tert-butylpiperidin-1-yl)phenyl]-N-ethylethanamine is CCNC(C)c1ccc(N2CCC(C(C)(C)C)CC2)cc1.
What is the InChIKey of 1-[4-(4-tert-butylpiperidin-1-yl)phenyl]-N-ethylethanamine?
The InChIKey is OTKFSAHBMJJGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-6-20-15(2)16-7-9-18(10-8-16)21-13-11-17(12-14-21)19(3,4)5/h7-10,15,17,20H,6,11-14H2,1-5H3.
What are the key properties of 1-[4-(4-tert-butylpiperidin-1-yl)phenyl]-N-ethylethanamine?
1-[4-(4-tert-butylpiperidin-1-yl)phenyl]-N-ethylethanamine has a molecular weight of 288.48 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-tert-butylpiperidin-1-yl)phenyl]-N-ethylethanamine is sourced from PubChem (CID 63532857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).