1-[2-(4,4-diethylpiperidin-1-yl)phenyl]propan-2-amine

C18H30N2 — CID 63794357

IUPAC1-[2-(4,4-diethylpiperidin-1-yl)phenyl]propan-2-amine
SMILESCCC1(CC)CCN(c2ccccc2CC(C)N)CC1
InChIInChI=1S/C18H30N2/c1-4-18(5-2)10-12-20(13-11-18)17-9-7-6-8-16(17)14-15(3)19/h6-9,15H,4-5,10-14,19H2,1-3H3
InChIKeyMLOPFKNVFUGGMV-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.98
Rot. Bonds5

About 1-[2-(4,4-diethylpiperidin-1-yl)phenyl]propan-2-amine

1-[2-(4,4-diethylpiperidin-1-yl)phenyl]propan-2-amine (PubChem CID 63794357) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-[2-(4,4-diethylpiperidin-1-yl)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(4,4-diethylpiperidin-1-yl)phenyl]propan-2-amine
PubChem CID63794357
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name1-[2-(4,4-diethylpiperidin-1-yl)phenyl]propan-2-amine
SMILESCCC1(CC)CCN(c2ccccc2CC(C)N)CC1
InChIInChI=1S/C18H30N2/c1-4-18(5-2)10-12-20(13-11-18)17-9-7-6-8-16(17)14-15(3)19/h6-9,15H,4-5,10-14,19H2,1-3H3
InChIKeyMLOPFKNVFUGGMV-UHFFFAOYSA-N
XLogP3.98
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-thiomorpholin-4-ylphenyl)propan-2-amine
CID 63787448
1-[2-(4-cyclopropylpiperazin-1-yl)phenyl]propan-2-amine
CID 63817266
1-[2-(4-ethyl-4-methylpiperidin-1-yl)phenyl]butan-2-amine
CID 63793471
1-[2-(4,4-diethylpiperidin-1-yl)phenyl]ethanol
CID 55166791
1-[2-(4,4-dimethylazepan-1-yl)phenyl]butan-2-amine
CID 65286445
1-(2-pyrrolidin-1-ylphenyl)butan-2-amine
CID 63787070
(1S)-1-[2-(4,4-diethylpiperidin-1-yl)-6-fluorophenyl]ethanamine
CID 78936860
1-[2-(3-methylpiperidin-1-yl)phenyl]propan-2-amine
CID 63785750
1-[2-(4,4-diethylpiperidin-1-yl)phenyl]-N-methylethanamine
CID 63158539
1-[2-(3,4-dimethoxypyrrolidin-1-yl)phenyl]propan-2-amine
CID 103540626
4-[2-(2-aminopropyl)phenyl]-1-methylpiperazin-2-one
CID 117371658
2-(4,4-diethylpiperidin-1-yl)benzoic acid
CID 63513477

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4,4-diethylpiperidin-1-yl)phenyl]propan-2-amine?
The IUPAC name of 1-[2-(4,4-diethylpiperidin-1-yl)phenyl]propan-2-amine (CID 63794357) is 1-[2-(4,4-diethylpiperidin-1-yl)phenyl]propan-2-amine.
What is the SMILES notation for 1-[2-(4,4-diethylpiperidin-1-yl)phenyl]propan-2-amine?
The canonical SMILES for 1-[2-(4,4-diethylpiperidin-1-yl)phenyl]propan-2-amine is CCC1(CC)CCN(c2ccccc2CC(C)N)CC1.
What is the InChIKey of 1-[2-(4,4-diethylpiperidin-1-yl)phenyl]propan-2-amine?
The InChIKey is MLOPFKNVFUGGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-4-18(5-2)10-12-20(13-11-18)17-9-7-6-8-16(17)14-15(3)19/h6-9,15H,4-5,10-14,19H2,1-3H3.
What are the key properties of 1-[2-(4,4-diethylpiperidin-1-yl)phenyl]propan-2-amine?
1-[2-(4,4-diethylpiperidin-1-yl)phenyl]propan-2-amine has a molecular weight of 274.45 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4,4-diethylpiperidin-1-yl)phenyl]propan-2-amine is sourced from PubChem (CID 63794357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).