1-[4-[(2R)-3,3-dimethylbutan-2-yl]piperidin-1-yl]propan-2-one

C14H27NO — CID 71102053

IUPAC1-[4-[(2R)-3,3-dimethylbutan-2-yl]piperidin-1-yl]propan-2-one
SMILESCC(=O)CN1CCC([C@@H](C)C(C)(C)C)CC1
InChIInChI=1S/C14H27NO/c1-11(16)10-15-8-6-13(7-9-15)12(2)14(3,4)5/h12-13H,6-10H2,1-5H3/t12-/m1/s1
InChIKeyDVGKGDFVXMTQQH-GFCCVEGCSA-N
MW225.38 g/mol
LogP2.97
Rot. Bonds3

About 1-[4-[(2R)-3,3-dimethylbutan-2-yl]piperidin-1-yl]propan-2-one

1-[4-[(2R)-3,3-dimethylbutan-2-yl]piperidin-1-yl]propan-2-one (PubChem CID 71102053) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-[4-[(2R)-3,3-dimethylbutan-2-yl]piperidin-1-yl]propan-2-one.

Molecular Properties

Compound Name1-[4-[(2R)-3,3-dimethylbutan-2-yl]piperidin-1-yl]propan-2-one
PubChem CID71102053
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name1-[4-[(2R)-3,3-dimethylbutan-2-yl]piperidin-1-yl]propan-2-one
SMILESCC(=O)CN1CCC([C@@H](C)C(C)(C)C)CC1
InChIInChI=1S/C14H27NO/c1-11(16)10-15-8-6-13(7-9-15)12(2)14(3,4)5/h12-13H,6-10H2,1-5H3/t12-/m1/s1
InChIKeyDVGKGDFVXMTQQH-GFCCVEGCSA-N
XLogP2.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2R)-3,3-dimethylbutan-2-yl]piperidin-1-yl]propan-2-one?
The IUPAC name of 1-[4-[(2R)-3,3-dimethylbutan-2-yl]piperidin-1-yl]propan-2-one (CID 71102053) is 1-[4-[(2R)-3,3-dimethylbutan-2-yl]piperidin-1-yl]propan-2-one.
What is the SMILES notation for 1-[4-[(2R)-3,3-dimethylbutan-2-yl]piperidin-1-yl]propan-2-one?
The canonical SMILES for 1-[4-[(2R)-3,3-dimethylbutan-2-yl]piperidin-1-yl]propan-2-one is CC(=O)CN1CCC([C@@H](C)C(C)(C)C)CC1.
What is the InChIKey of 1-[4-[(2R)-3,3-dimethylbutan-2-yl]piperidin-1-yl]propan-2-one?
The InChIKey is DVGKGDFVXMTQQH-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H27NO/c1-11(16)10-15-8-6-13(7-9-15)12(2)14(3,4)5/h12-13H,6-10H2,1-5H3/t12-/m1/s1.
What are the key properties of 1-[4-[(2R)-3,3-dimethylbutan-2-yl]piperidin-1-yl]propan-2-one?
1-[4-[(2R)-3,3-dimethylbutan-2-yl]piperidin-1-yl]propan-2-one has a molecular weight of 225.38 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2R)-3,3-dimethylbutan-2-yl]piperidin-1-yl]propan-2-one is sourced from PubChem (CID 71102053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).