cyclopropyl-[(3S,4S)-3-(dimethylamino)-4-(hydroxymethyl)piperidin-1-yl]methanone

C12H22N2O2 — CID 110197493

IUPACcyclopropyl-[(3S,4S)-3-(dimethylamino)-4-(hydroxymethyl)piperidin-1-yl]methanone
SMILESCN(C)[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1CO
InChIInChI=1S/C12H22N2O2/c1-13(2)11-7-14(6-5-10(11)8-15)12(16)9-3-4-9/h9-11,15H,3-8H2,1-2H3/t10-,11-/m1/s1
InChIKeyZGKDAEWLTNBSEJ-GHMZBOCLSA-N
MW226.32 g/mol
LogP0.17
Rot. Bonds3

About cyclopropyl-[(3S,4S)-3-(dimethylamino)-4-(hydroxymethyl)piperidin-1-yl]methanone

cyclopropyl-[(3S,4S)-3-(dimethylamino)-4-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 110197493) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is cyclopropyl-[(3S,4S)-3-(dimethylamino)-4-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[(3S,4S)-3-(dimethylamino)-4-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID110197493
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Namecyclopropyl-[(3S,4S)-3-(dimethylamino)-4-(hydroxymethyl)piperidin-1-yl]methanone
SMILESCN(C)[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1CO
InChIInChI=1S/C12H22N2O2/c1-13(2)11-7-14(6-5-10(11)8-15)12(16)9-3-4-9/h9-11,15H,3-8H2,1-2H3/t10-,11-/m1/s1
InChIKeyZGKDAEWLTNBSEJ-GHMZBOCLSA-N
XLogP0.17
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[(3S,4S)-3-(dimethylamino)-4-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[(3S,4S)-3-(dimethylamino)-4-(hydroxymethyl)piperidin-1-yl]methanone (CID 110197493) is cyclopropyl-[(3S,4S)-3-(dimethylamino)-4-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[(3S,4S)-3-(dimethylamino)-4-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[(3S,4S)-3-(dimethylamino)-4-(hydroxymethyl)piperidin-1-yl]methanone is CN(C)[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1CO.
What is the InChIKey of cyclopropyl-[(3S,4S)-3-(dimethylamino)-4-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is ZGKDAEWLTNBSEJ-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-13(2)11-7-14(6-5-10(11)8-15)12(16)9-3-4-9/h9-11,15H,3-8H2,1-2H3/t10-,11-/m1/s1.
What are the key properties of cyclopropyl-[(3S,4S)-3-(dimethylamino)-4-(hydroxymethyl)piperidin-1-yl]methanone?
cyclopropyl-[(3S,4S)-3-(dimethylamino)-4-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 226.32 g/mol, XLogP of 0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[(3S,4S)-3-(dimethylamino)-4-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 110197493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).