1-(2-propan-2-ylphenyl)-N-propylpiperidin-4-amine

C17H28N2 — CID 43315030

IUPAC1-(2-propan-2-ylphenyl)-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(c2ccccc2C(C)C)CC1
InChIInChI=1S/C17H28N2/c1-4-11-18-15-9-12-19(13-10-15)17-8-6-5-7-16(17)14(2)3/h5-8,14-15,18H,4,9-13H2,1-3H3
InChIKeyXGSHOROJVMLBAL-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.78
Rot. Bonds5

About 1-(2-propan-2-ylphenyl)-N-propylpiperidin-4-amine

1-(2-propan-2-ylphenyl)-N-propylpiperidin-4-amine (PubChem CID 43315030) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 1-(2-propan-2-ylphenyl)-N-propylpiperidin-4-amine.

Molecular Properties

Compound Name1-(2-propan-2-ylphenyl)-N-propylpiperidin-4-amine
PubChem CID43315030
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name1-(2-propan-2-ylphenyl)-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(c2ccccc2C(C)C)CC1
InChIInChI=1S/C17H28N2/c1-4-11-18-15-9-12-19(13-10-15)17-8-6-5-7-16(17)14(2)3/h5-8,14-15,18H,4,9-13H2,1-3H3
InChIKeyXGSHOROJVMLBAL-UHFFFAOYSA-N
XLogP3.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-2-methylphenyl)-N-propylpiperidin-4-amine
CID 107636284
2-[1-(2-propan-2-ylphenyl)piperidin-4-yl]ethanol
CID 117003516
1-(2-propan-2-ylphenyl)pyrrolidine
CID 10607693
N-[1-[2-(4-ethoxypiperidin-1-yl)phenyl]ethyl]propan-1-amine
CID 61219586
N-propyl-1-quinolin-5-ylpiperidin-4-amine
CID 43315003
N-ethyl-1-(2-propylphenyl)piperidin-4-amine
CID 54963841
1-(2-bromophenyl)-N-ethylpiperidin-4-amine
CID 60862139
N-[1-[2-(azepan-1-yl)phenyl]ethyl]propan-1-amine
CID 43284031
[1-(2-propan-2-ylphenyl)pyrrolidin-3-yl]methanol
CID 53215506
N-[1-(2-piperidin-1-ylphenyl)ethyl]propan-1-amine
CID 43284321
1-[1-(2-chlorophenyl)ethyl]-N-propylpyrrolidin-3-amine
CID 54965482
1-(2-methylbutyl)-N-propylpiperidin-4-amine
CID 62105656

Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-ylphenyl)-N-propylpiperidin-4-amine?
The IUPAC name of 1-(2-propan-2-ylphenyl)-N-propylpiperidin-4-amine (CID 43315030) is 1-(2-propan-2-ylphenyl)-N-propylpiperidin-4-amine.
What is the SMILES notation for 1-(2-propan-2-ylphenyl)-N-propylpiperidin-4-amine?
The canonical SMILES for 1-(2-propan-2-ylphenyl)-N-propylpiperidin-4-amine is CCCNC1CCN(c2ccccc2C(C)C)CC1.
What is the InChIKey of 1-(2-propan-2-ylphenyl)-N-propylpiperidin-4-amine?
The InChIKey is XGSHOROJVMLBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-4-11-18-15-9-12-19(13-10-15)17-8-6-5-7-16(17)14(2)3/h5-8,14-15,18H,4,9-13H2,1-3H3.
What are the key properties of 1-(2-propan-2-ylphenyl)-N-propylpiperidin-4-amine?
1-(2-propan-2-ylphenyl)-N-propylpiperidin-4-amine has a molecular weight of 260.43 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-ylphenyl)-N-propylpiperidin-4-amine is sourced from PubChem (CID 43315030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).