1-(4-tert-butylphenyl)-2-(4-methylpiperidin-1-yl)propan-2-amine

C19H32N2 — CID 84752594

IUPAC1-(4-tert-butylphenyl)-2-(4-methylpiperidin-1-yl)propan-2-amine
SMILESCC1CCN(C(C)(N)Cc2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C19H32N2/c1-15-10-12-21(13-11-15)19(5,20)14-16-6-8-17(9-7-16)18(2,3)4/h6-9,15H,10-14,20H2,1-5H3
InChIKeyLPYHZSLVPNPUGT-UHFFFAOYSA-N
MW288.48 g/mol
LogP3.93
Rot. Bonds3

About 1-(4-tert-butylphenyl)-2-(4-methylpiperidin-1-yl)propan-2-amine

1-(4-tert-butylphenyl)-2-(4-methylpiperidin-1-yl)propan-2-amine (PubChem CID 84752594) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-2-(4-methylpiperidin-1-yl)propan-2-amine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-2-(4-methylpiperidin-1-yl)propan-2-amine
PubChem CID84752594
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name1-(4-tert-butylphenyl)-2-(4-methylpiperidin-1-yl)propan-2-amine
SMILESCC1CCN(C(C)(N)Cc2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C19H32N2/c1-15-10-12-21(13-11-15)19(5,20)14-16-6-8-17(9-7-16)18(2,3)4/h6-9,15H,10-14,20H2,1-5H3
InChIKeyLPYHZSLVPNPUGT-UHFFFAOYSA-N
XLogP3.93
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-2-(4-methylpiperidin-1-yl)propan-2-amine?
The IUPAC name of 1-(4-tert-butylphenyl)-2-(4-methylpiperidin-1-yl)propan-2-amine (CID 84752594) is 1-(4-tert-butylphenyl)-2-(4-methylpiperidin-1-yl)propan-2-amine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-2-(4-methylpiperidin-1-yl)propan-2-amine?
The canonical SMILES for 1-(4-tert-butylphenyl)-2-(4-methylpiperidin-1-yl)propan-2-amine is CC1CCN(C(C)(N)Cc2ccc(C(C)(C)C)cc2)CC1.
What is the InChIKey of 1-(4-tert-butylphenyl)-2-(4-methylpiperidin-1-yl)propan-2-amine?
The InChIKey is LPYHZSLVPNPUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-15-10-12-21(13-11-15)19(5,20)14-16-6-8-17(9-7-16)18(2,3)4/h6-9,15H,10-14,20H2,1-5H3.
What are the key properties of 1-(4-tert-butylphenyl)-2-(4-methylpiperidin-1-yl)propan-2-amine?
1-(4-tert-butylphenyl)-2-(4-methylpiperidin-1-yl)propan-2-amine has a molecular weight of 288.48 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-2-(4-methylpiperidin-1-yl)propan-2-amine is sourced from PubChem (CID 84752594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).