1-[4-(4-tert-butylpiperidin-1-yl)phenyl]propan-2-amine

C18H30N2 — CID 63794137

IUPAC1-[4-(4-tert-butylpiperidin-1-yl)phenyl]propan-2-amine
SMILESCC(N)Cc1ccc(N2CCC(C(C)(C)C)CC2)cc1
InChIInChI=1S/C18H30N2/c1-14(19)13-15-5-7-17(8-6-15)20-11-9-16(10-12-20)18(2,3)4/h5-8,14,16H,9-13,19H2,1-4H3
InChIKeyYZEMDARGPPXQOI-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.84
Rot. Bonds3

About 1-[4-(4-tert-butylpiperidin-1-yl)phenyl]propan-2-amine

1-[4-(4-tert-butylpiperidin-1-yl)phenyl]propan-2-amine (PubChem CID 63794137) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-[4-(4-tert-butylpiperidin-1-yl)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-(4-tert-butylpiperidin-1-yl)phenyl]propan-2-amine
PubChem CID63794137
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name1-[4-(4-tert-butylpiperidin-1-yl)phenyl]propan-2-amine
SMILESCC(N)Cc1ccc(N2CCC(C(C)(C)C)CC2)cc1
InChIInChI=1S/C18H30N2/c1-14(19)13-15-5-7-17(8-6-15)20-11-9-16(10-12-20)18(2,3)4/h5-8,14,16H,9-13,19H2,1-4H3
InChIKeyYZEMDARGPPXQOI-UHFFFAOYSA-N
XLogP3.84
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[4-(4-tert-butylpiperidin-1-yl)phenyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(4-methylpiperidin-1-yl)phenyl]propan-2-amine
CID 63786073
1-[4-(4-ethylpiperidin-1-yl)phenyl]propan-2-amine
CID 63817435
(1S)-1-[4-(4-tert-butylpiperidin-1-yl)phenyl]ethanamine
CID 63368975
1-[4-[4-(methoxymethyl)piperidin-1-yl]phenyl]propan-2-amine
CID 63980117
1-[4-(4-tert-butylpiperidin-1-yl)phenyl]-N-methylmethanamine
CID 62091433
(1S)-1-[4-(4-tert-butylpiperidin-1-yl)phenyl]ethanol
CID 63371777
(1R)-1-[4-(4-tert-butylpiperidin-1-yl)phenyl]ethanol
CID 78940931
4-tert-butyl-1-(4-propan-2-yloxyphenyl)piperidine
CID 118634170
4-(4-tert-butylpiperidin-1-yl)phenol
CID 164764149
1-[4-(3-methylpiperidin-1-yl)phenyl]propan-2-amine
CID 63786246
1-[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]propan-2-amine
CID 63795052
4-tert-butyl-1-phenylpiperidine
CID 612454

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-tert-butylpiperidin-1-yl)phenyl]propan-2-amine?
The IUPAC name of 1-[4-(4-tert-butylpiperidin-1-yl)phenyl]propan-2-amine (CID 63794137) is 1-[4-(4-tert-butylpiperidin-1-yl)phenyl]propan-2-amine.
What is the SMILES notation for 1-[4-(4-tert-butylpiperidin-1-yl)phenyl]propan-2-amine?
The canonical SMILES for 1-[4-(4-tert-butylpiperidin-1-yl)phenyl]propan-2-amine is CC(N)Cc1ccc(N2CCC(C(C)(C)C)CC2)cc1.
What is the InChIKey of 1-[4-(4-tert-butylpiperidin-1-yl)phenyl]propan-2-amine?
The InChIKey is YZEMDARGPPXQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-14(19)13-15-5-7-17(8-6-15)20-11-9-16(10-12-20)18(2,3)4/h5-8,14,16H,9-13,19H2,1-4H3.
What are the key properties of 1-[4-(4-tert-butylpiperidin-1-yl)phenyl]propan-2-amine?
1-[4-(4-tert-butylpiperidin-1-yl)phenyl]propan-2-amine has a molecular weight of 274.45 g/mol, XLogP of 3.84, 3 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]propan-2-amine is sourced from PubChem (CID 63794137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).