(1S)-1-[4-(4-tert-butylpiperidin-1-yl)phenyl]ethanamine

C17H28N2 — CID 63368975

IUPAC(1S)-1-[4-(4-tert-butylpiperidin-1-yl)phenyl]ethanamine
SMILESC[C@H](N)c1ccc(N2CCC(C(C)(C)C)CC2)cc1
InChIInChI=1S/C17H28N2/c1-13(18)14-5-7-16(8-6-14)19-11-9-15(10-12-19)17(2,3)4/h5-8,13,15H,9-12,18H2,1-4H3/t13-/m0/s1
InChIKeyKAZVQCDZPWBLHF-ZDUSSCGKSA-N
MW260.43 g/mol
LogP3.97
Rot. Bonds2

About (1S)-1-[4-(4-tert-butylpiperidin-1-yl)phenyl]ethanamine

(1S)-1-[4-(4-tert-butylpiperidin-1-yl)phenyl]ethanamine (PubChem CID 63368975) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is (1S)-1-[4-(4-tert-butylpiperidin-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[4-(4-tert-butylpiperidin-1-yl)phenyl]ethanamine
PubChem CID63368975
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name(1S)-1-[4-(4-tert-butylpiperidin-1-yl)phenyl]ethanamine
SMILESC[C@H](N)c1ccc(N2CCC(C(C)(C)C)CC2)cc1
InChIInChI=1S/C17H28N2/c1-13(18)14-5-7-16(8-6-14)19-11-9-15(10-12-19)17(2,3)4/h5-8,13,15H,9-12,18H2,1-4H3/t13-/m0/s1
InChIKeyKAZVQCDZPWBLHF-ZDUSSCGKSA-N
XLogP3.97
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-[4-(4-tert-butylpiperidin-1-yl)phenyl]ethanol
CID 63371777
(1R)-1-[4-(4-tert-butylpiperidin-1-yl)phenyl]ethanol
CID 78940931
1-[4-(4-tert-butylpiperidin-1-yl)phenyl]propan-2-amine
CID 63794137
1-[4-[(1S)-1-aminoethyl]phenyl]-N,N-dimethylpiperidin-4-amine
CID 55189063
1-[4-(4-tert-butylpiperidin-1-yl)phenyl]-N-ethylethanamine
CID 63532857
1-[4-(azepan-1-yl)phenyl]ethanamine
CID 43188750
1-[4-(4-tert-butylpiperazin-1-yl)phenyl]ethanamine
CID 61432785
4-tert-butyl-1-(4-propan-2-yloxyphenyl)piperidine
CID 118634170
4-(4-tert-butylpiperidin-1-yl)phenol
CID 164764149
4-tert-butyl-1-phenylpiperidine
CID 612454
1-[4-(4-phenylpiperazin-1-yl)phenyl]ethanamine
CID 43188772
(1R)-1-[4-(3-phenylpyrrolidin-1-yl)phenyl]ethanamine
CID 78935368

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-(4-tert-butylpiperidin-1-yl)phenyl]ethanamine?
The IUPAC name of (1S)-1-[4-(4-tert-butylpiperidin-1-yl)phenyl]ethanamine (CID 63368975) is (1S)-1-[4-(4-tert-butylpiperidin-1-yl)phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[4-(4-tert-butylpiperidin-1-yl)phenyl]ethanamine?
The canonical SMILES for (1S)-1-[4-(4-tert-butylpiperidin-1-yl)phenyl]ethanamine is C[C@H](N)c1ccc(N2CCC(C(C)(C)C)CC2)cc1.
What is the InChIKey of (1S)-1-[4-(4-tert-butylpiperidin-1-yl)phenyl]ethanamine?
The InChIKey is KAZVQCDZPWBLHF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H28N2/c1-13(18)14-5-7-16(8-6-14)19-11-9-15(10-12-19)17(2,3)4/h5-8,13,15H,9-12,18H2,1-4H3/t13-/m0/s1.
What are the key properties of (1S)-1-[4-(4-tert-butylpiperidin-1-yl)phenyl]ethanamine?
(1S)-1-[4-(4-tert-butylpiperidin-1-yl)phenyl]ethanamine has a molecular weight of 260.43 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-(4-tert-butylpiperidin-1-yl)phenyl]ethanamine is sourced from PubChem (CID 63368975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).