[(3S)-3-hydroxypyrrolidin-1-yl]-(4-methylpiperidin-4-yl)methanone

C11H20N2O2 — CID 107217447

IUPAC[(3S)-3-hydroxypyrrolidin-1-yl]-(4-methylpiperidin-4-yl)methanone
SMILESCC1(C(=O)N2CC[C@H](O)C2)CCNCC1
InChIInChI=1S/C11H20N2O2/c1-11(3-5-12-6-4-11)10(15)13-7-2-9(14)8-13/h9,12,14H,2-8H2,1H3/t9-/m0/s1
InChIKeyBLFUWIHNFBWJQC-VIFPVBQESA-N
MW212.29 g/mol
LogP-0.03
Rot. Bonds1

About [(3S)-3-hydroxypyrrolidin-1-yl]-(4-methylpiperidin-4-yl)methanone

[(3S)-3-hydroxypyrrolidin-1-yl]-(4-methylpiperidin-4-yl)methanone (PubChem CID 107217447) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is [(3S)-3-hydroxypyrrolidin-1-yl]-(4-methylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-hydroxypyrrolidin-1-yl]-(4-methylpiperidin-4-yl)methanone
PubChem CID107217447
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name[(3S)-3-hydroxypyrrolidin-1-yl]-(4-methylpiperidin-4-yl)methanone
SMILESCC1(C(=O)N2CC[C@H](O)C2)CCNCC1
InChIInChI=1S/C11H20N2O2/c1-11(3-5-12-6-4-11)10(15)13-7-2-9(14)8-13/h9,12,14H,2-8H2,1H3/t9-/m0/s1
InChIKeyBLFUWIHNFBWJQC-VIFPVBQESA-N
XLogP-0.03
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-hydroxypyrrolidin-1-yl]-(4-methylpiperidin-4-yl)methanone?
The IUPAC name of [(3S)-3-hydroxypyrrolidin-1-yl]-(4-methylpiperidin-4-yl)methanone (CID 107217447) is [(3S)-3-hydroxypyrrolidin-1-yl]-(4-methylpiperidin-4-yl)methanone.
What is the SMILES notation for [(3S)-3-hydroxypyrrolidin-1-yl]-(4-methylpiperidin-4-yl)methanone?
The canonical SMILES for [(3S)-3-hydroxypyrrolidin-1-yl]-(4-methylpiperidin-4-yl)methanone is CC1(C(=O)N2CC[C@H](O)C2)CCNCC1.
What is the InChIKey of [(3S)-3-hydroxypyrrolidin-1-yl]-(4-methylpiperidin-4-yl)methanone?
The InChIKey is BLFUWIHNFBWJQC-VIFPVBQESA-N. The full InChI is InChI=1S/C11H20N2O2/c1-11(3-5-12-6-4-11)10(15)13-7-2-9(14)8-13/h9,12,14H,2-8H2,1H3/t9-/m0/s1.
What are the key properties of [(3S)-3-hydroxypyrrolidin-1-yl]-(4-methylpiperidin-4-yl)methanone?
[(3S)-3-hydroxypyrrolidin-1-yl]-(4-methylpiperidin-4-yl)methanone has a molecular weight of 212.29 g/mol, XLogP of -0.03, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-hydroxypyrrolidin-1-yl]-(4-methylpiperidin-4-yl)methanone is sourced from PubChem (CID 107217447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).