1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3,4,4-trimethylpentan-1-one

C17H32N2O — CID 81483865

IUPAC1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3,4,4-trimethylpentan-1-one
SMILESCC(CC(=O)N1CCC(NCC2CC2)CC1)C(C)(C)C
InChIInChI=1S/C17H32N2O/c1-13(17(2,3)4)11-16(20)19-9-7-15(8-10-19)18-12-14-5-6-14/h13-15,18H,5-12H2,1-4H3
InChIKeyJZGAYVGQWVFMLS-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.05
Rot. Bonds5

About 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3,4,4-trimethylpentan-1-one

1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3,4,4-trimethylpentan-1-one (PubChem CID 81483865) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3,4,4-trimethylpentan-1-one.

Molecular Properties

Compound Name1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3,4,4-trimethylpentan-1-one
PubChem CID81483865
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3,4,4-trimethylpentan-1-one
SMILESCC(CC(=O)N1CCC(NCC2CC2)CC1)C(C)(C)C
InChIInChI=1S/C17H32N2O/c1-13(17(2,3)4)11-16(20)19-9-7-15(8-10-19)18-12-14-5-6-14/h13-15,18H,5-12H2,1-4H3
InChIKeyJZGAYVGQWVFMLS-UHFFFAOYSA-N
XLogP3.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3,4,4-trimethylpentan-1-one?
The IUPAC name of 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3,4,4-trimethylpentan-1-one (CID 81483865) is 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3,4,4-trimethylpentan-1-one.
What is the SMILES notation for 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3,4,4-trimethylpentan-1-one?
The canonical SMILES for 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3,4,4-trimethylpentan-1-one is CC(CC(=O)N1CCC(NCC2CC2)CC1)C(C)(C)C.
What is the InChIKey of 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3,4,4-trimethylpentan-1-one?
The InChIKey is JZGAYVGQWVFMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-13(17(2,3)4)11-16(20)19-9-7-15(8-10-19)18-12-14-5-6-14/h13-15,18H,5-12H2,1-4H3.
What are the key properties of 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3,4,4-trimethylpentan-1-one?
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3,4,4-trimethylpentan-1-one has a molecular weight of 280.46 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3,4,4-trimethylpentan-1-one is sourced from PubChem (CID 81483865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).