(1-benzylpyrrolidin-2-yl)-(4-hydroxypiperidin-1-yl)methanone

C17H24N2O2 — CID 60578972

IUPAC(1-benzylpyrrolidin-2-yl)-(4-hydroxypiperidin-1-yl)methanone
SMILESO=C(C1CCCN1Cc1ccccc1)N1CCC(O)CC1
InChIInChI=1S/C17H24N2O2/c20-15-8-11-18(12-9-15)17(21)16-7-4-10-19(16)13-14-5-2-1-3-6-14/h1-3,5-6,15-16,20H,4,7-13H2
InChIKeyMFKSCNUBUIGIGY-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.63
Rot. Bonds3

About (1-benzylpyrrolidin-2-yl)-(4-hydroxypiperidin-1-yl)methanone

(1-benzylpyrrolidin-2-yl)-(4-hydroxypiperidin-1-yl)methanone (PubChem CID 60578972) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is (1-benzylpyrrolidin-2-yl)-(4-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(1-benzylpyrrolidin-2-yl)-(4-hydroxypiperidin-1-yl)methanone
PubChem CID60578972
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name(1-benzylpyrrolidin-2-yl)-(4-hydroxypiperidin-1-yl)methanone
SMILESO=C(C1CCCN1Cc1ccccc1)N1CCC(O)CC1
InChIInChI=1S/C17H24N2O2/c20-15-8-11-18(12-9-15)17(21)16-7-4-10-19(16)13-14-5-2-1-3-6-14/h1-3,5-6,15-16,20H,4,7-13H2
InChIKeyMFKSCNUBUIGIGY-UHFFFAOYSA-N
XLogP1.63
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-benzylpyrrolidin-2-yl)-pyrrolidin-1-ylmethanone
CID 23282646
N-[1-(1-benzylpyrrolidine-2-carbonyl)piperidin-4-yl]acetamide
CID 49399454
(1-benzylpyrrolidin-2-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119546904
(4-benzhydrylpiperazin-1-yl)-[(2S)-1-benzylpyrrolidin-2-yl]methanone
CID 10225228
[(3aS,7aR)-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-(1-benzylpyrrolidin-2-yl)methanone
CID 56873934
[4-(1-aminoethyl)piperidin-1-yl]-(1-benzylpiperidin-2-yl)methanone
CID 119519896
1-(1-benzylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one
CID 70799307
(1-benzylpyrrolidin-2-yl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119493710
[4-(1-aminoethyl)piperidin-1-yl]-(1-benzylpiperidin-2-yl)methanone;dihydrochloride
CID 119519895
[(2S)-1-benzylpyrrolidin-2-yl]-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 118781643
[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-[(2R)-1-benzylpiperidin-2-yl]methanone
CID 124781007
N-benzyl-2-[4-(1-benzylpyrrolidine-2-carbonyl)piperazin-1-yl]acetamide
CID 55986557

Frequently Asked Questions

What is the IUPAC name of (1-benzylpyrrolidin-2-yl)-(4-hydroxypiperidin-1-yl)methanone?
The IUPAC name of (1-benzylpyrrolidin-2-yl)-(4-hydroxypiperidin-1-yl)methanone (CID 60578972) is (1-benzylpyrrolidin-2-yl)-(4-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for (1-benzylpyrrolidin-2-yl)-(4-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for (1-benzylpyrrolidin-2-yl)-(4-hydroxypiperidin-1-yl)methanone is O=C(C1CCCN1Cc1ccccc1)N1CCC(O)CC1.
What is the InChIKey of (1-benzylpyrrolidin-2-yl)-(4-hydroxypiperidin-1-yl)methanone?
The InChIKey is MFKSCNUBUIGIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c20-15-8-11-18(12-9-15)17(21)16-7-4-10-19(16)13-14-5-2-1-3-6-14/h1-3,5-6,15-16,20H,4,7-13H2.
What are the key properties of (1-benzylpyrrolidin-2-yl)-(4-hydroxypiperidin-1-yl)methanone?
(1-benzylpyrrolidin-2-yl)-(4-hydroxypiperidin-1-yl)methanone has a molecular weight of 288.39 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylpyrrolidin-2-yl)-(4-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 60578972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).