1-[(2S)-2-ethylpiperidin-1-yl]-3-(2,4,6-trimethylphenyl)propan-1-one

C19H29NO — CID 66553242

IUPAC1-[(2S)-2-ethylpiperidin-1-yl]-3-(2,4,6-trimethylphenyl)propan-1-one
SMILESCC[C@H]1CCCCN1C(=O)CCc1c(C)cc(C)cc1C
InChIInChI=1S/C19H29NO/c1-5-17-8-6-7-11-20(17)19(21)10-9-18-15(3)12-14(2)13-16(18)4/h12-13,17H,5-11H2,1-4H3/t17-/m0/s1
InChIKeyARQFDCNUYFQRBN-KRWDZBQOSA-N
MW287.45 g/mol
LogP4.34
Rot. Bonds4

About 1-[(2S)-2-ethylpiperidin-1-yl]-3-(2,4,6-trimethylphenyl)propan-1-one

1-[(2S)-2-ethylpiperidin-1-yl]-3-(2,4,6-trimethylphenyl)propan-1-one (PubChem CID 66553242) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 1-[(2S)-2-ethylpiperidin-1-yl]-3-(2,4,6-trimethylphenyl)propan-1-one.

Molecular Properties

Compound Name1-[(2S)-2-ethylpiperidin-1-yl]-3-(2,4,6-trimethylphenyl)propan-1-one
PubChem CID66553242
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name1-[(2S)-2-ethylpiperidin-1-yl]-3-(2,4,6-trimethylphenyl)propan-1-one
SMILESCC[C@H]1CCCCN1C(=O)CCc1c(C)cc(C)cc1C
InChIInChI=1S/C19H29NO/c1-5-17-8-6-7-11-20(17)19(21)10-9-18-15(3)12-14(2)13-16(18)4/h12-13,17H,5-11H2,1-4H3/t17-/m0/s1
InChIKeyARQFDCNUYFQRBN-KRWDZBQOSA-N
XLogP4.34
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-ethylpiperidin-1-yl]-3-(2,4,6-trimethylphenyl)propan-1-one?
The IUPAC name of 1-[(2S)-2-ethylpiperidin-1-yl]-3-(2,4,6-trimethylphenyl)propan-1-one (CID 66553242) is 1-[(2S)-2-ethylpiperidin-1-yl]-3-(2,4,6-trimethylphenyl)propan-1-one.
What is the SMILES notation for 1-[(2S)-2-ethylpiperidin-1-yl]-3-(2,4,6-trimethylphenyl)propan-1-one?
The canonical SMILES for 1-[(2S)-2-ethylpiperidin-1-yl]-3-(2,4,6-trimethylphenyl)propan-1-one is CC[C@H]1CCCCN1C(=O)CCc1c(C)cc(C)cc1C.
What is the InChIKey of 1-[(2S)-2-ethylpiperidin-1-yl]-3-(2,4,6-trimethylphenyl)propan-1-one?
The InChIKey is ARQFDCNUYFQRBN-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H29NO/c1-5-17-8-6-7-11-20(17)19(21)10-9-18-15(3)12-14(2)13-16(18)4/h12-13,17H,5-11H2,1-4H3/t17-/m0/s1.
What are the key properties of 1-[(2S)-2-ethylpiperidin-1-yl]-3-(2,4,6-trimethylphenyl)propan-1-one?
1-[(2S)-2-ethylpiperidin-1-yl]-3-(2,4,6-trimethylphenyl)propan-1-one has a molecular weight of 287.45 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-ethylpiperidin-1-yl]-3-(2,4,6-trimethylphenyl)propan-1-one is sourced from PubChem (CID 66553242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).