1-[3-(4-tert-butylphenoxy)propyl]-N-propan-2-ylpiperidin-4-amine

C21H36N2O — CID 56542513

IUPAC1-[3-(4-tert-butylphenoxy)propyl]-N-propan-2-ylpiperidin-4-amine
SMILESCC(C)NC1CCN(CCCOc2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C21H36N2O/c1-17(2)22-19-11-14-23(15-12-19)13-6-16-24-20-9-7-18(8-10-20)21(3,4)5/h7-10,17,19,22H,6,11-16H2,1-5H3
InChIKeyDHKQOEXOKSARAR-UHFFFAOYSA-N
MW332.53 g/mol
LogP4.22
Rot. Bonds7

About 1-[3-(4-tert-butylphenoxy)propyl]-N-propan-2-ylpiperidin-4-amine

1-[3-(4-tert-butylphenoxy)propyl]-N-propan-2-ylpiperidin-4-amine (PubChem CID 56542513) has the molecular formula C21H36N2O and a molecular weight of 332.53 g/mol. Its IUPAC name is 1-[3-(4-tert-butylphenoxy)propyl]-N-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound Name1-[3-(4-tert-butylphenoxy)propyl]-N-propan-2-ylpiperidin-4-amine
PubChem CID56542513
Molecular FormulaC21H36N2O
Molecular Weight332.53 g/mol
Exact Mass332.28
IUPAC Name1-[3-(4-tert-butylphenoxy)propyl]-N-propan-2-ylpiperidin-4-amine
SMILESCC(C)NC1CCN(CCCOc2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C21H36N2O/c1-17(2)22-19-11-14-23(15-12-19)13-6-16-24-20-9-7-18(8-10-20)21(3,4)5/h7-10,17,19,22H,6,11-16H2,1-5H3
InChIKeyDHKQOEXOKSARAR-UHFFFAOYSA-N
XLogP4.22
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.53
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[bis(4-methoxyphenyl)methyl]-1-[3-(4-tert-butylphenoxy)propyl]piperidine
CID 14407109
1-[6-(4-tert-butylphenoxy)hexyl]pyrrolidine
CID 2232435
1-[3-(4-tert-butylphenoxy)propyl]piperidine-4-carboxamide
CID 9443262
1-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl]-N-propan-2-ylpiperidin-4-amine
CID 155405108
1-butyl-N-propan-2-ylpiperidin-4-amine
CID 43748392
4-[6-(4-tert-butylphenoxy)hexyl]morpholine
CID 2238032
4-tert-butyl-N-[1-[3-(3,4-dimethyl-2-oxochromen-7-yl)oxypropyl]piperidin-4-yl]benzamide
CID 20539723
1-[2-[2-(4-tert-butylphenoxy)ethoxy]ethyl]-4-methylpiperazine
CID 2270536
N-[4-(4-tert-butylphenoxy)butyl]cyclopropanamine
CID 62454395
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-(4-tert-butylphenoxy)butanamide
CID 24590901
4-(4-tert-butylphenoxy)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]butanamide
CID 39146511
N-methyl-1-[1-(3-phenoxypropyl)piperidin-3-yl]ethanamine
CID 63854102

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-tert-butylphenoxy)propyl]-N-propan-2-ylpiperidin-4-amine?
The IUPAC name of 1-[3-(4-tert-butylphenoxy)propyl]-N-propan-2-ylpiperidin-4-amine (CID 56542513) is 1-[3-(4-tert-butylphenoxy)propyl]-N-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for 1-[3-(4-tert-butylphenoxy)propyl]-N-propan-2-ylpiperidin-4-amine?
The canonical SMILES for 1-[3-(4-tert-butylphenoxy)propyl]-N-propan-2-ylpiperidin-4-amine is CC(C)NC1CCN(CCCOc2ccc(C(C)(C)C)cc2)CC1.
What is the InChIKey of 1-[3-(4-tert-butylphenoxy)propyl]-N-propan-2-ylpiperidin-4-amine?
The InChIKey is DHKQOEXOKSARAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N2O/c1-17(2)22-19-11-14-23(15-12-19)13-6-16-24-20-9-7-18(8-10-20)21(3,4)5/h7-10,17,19,22H,6,11-16H2,1-5H3.
What are the key properties of 1-[3-(4-tert-butylphenoxy)propyl]-N-propan-2-ylpiperidin-4-amine?
1-[3-(4-tert-butylphenoxy)propyl]-N-propan-2-ylpiperidin-4-amine has a molecular weight of 332.53 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-tert-butylphenoxy)propyl]-N-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 56542513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).