(1-hydroxycyclopentyl)-(3-methyl-4-phenylpiperidin-1-yl)methanone

C18H25NO2 — CID 111483037

IUPAC(1-hydroxycyclopentyl)-(3-methyl-4-phenylpiperidin-1-yl)methanone
SMILESCC1CN(C(=O)C2(O)CCCC2)CCC1c1ccccc1
InChIInChI=1S/C18H25NO2/c1-14-13-19(17(20)18(21)10-5-6-11-18)12-9-16(14)15-7-3-2-4-8-15/h2-4,7-8,14,16,21H,5-6,9-13H2,1H3
InChIKeyHNYKAVXDMZFUID-UHFFFAOYSA-N
MW287.40 g/mol
LogP2.94
Rot. Bonds2

About (1-hydroxycyclopentyl)-(3-methyl-4-phenylpiperidin-1-yl)methanone

(1-hydroxycyclopentyl)-(3-methyl-4-phenylpiperidin-1-yl)methanone (PubChem CID 111483037) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is (1-hydroxycyclopentyl)-(3-methyl-4-phenylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(1-hydroxycyclopentyl)-(3-methyl-4-phenylpiperidin-1-yl)methanone
PubChem CID111483037
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name(1-hydroxycyclopentyl)-(3-methyl-4-phenylpiperidin-1-yl)methanone
SMILESCC1CN(C(=O)C2(O)CCCC2)CCC1c1ccccc1
InChIInChI=1S/C18H25NO2/c1-14-13-19(17(20)18(21)10-5-6-11-18)12-9-16(14)15-7-3-2-4-8-15/h2-4,7-8,14,16,21H,5-6,9-13H2,1H3
InChIKeyHNYKAVXDMZFUID-UHFFFAOYSA-N
XLogP2.94
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-hydroxycyclopentyl)-(3-methyl-4-phenylpiperidin-1-yl)methanone?
The IUPAC name of (1-hydroxycyclopentyl)-(3-methyl-4-phenylpiperidin-1-yl)methanone (CID 111483037) is (1-hydroxycyclopentyl)-(3-methyl-4-phenylpiperidin-1-yl)methanone.
What is the SMILES notation for (1-hydroxycyclopentyl)-(3-methyl-4-phenylpiperidin-1-yl)methanone?
The canonical SMILES for (1-hydroxycyclopentyl)-(3-methyl-4-phenylpiperidin-1-yl)methanone is CC1CN(C(=O)C2(O)CCCC2)CCC1c1ccccc1.
What is the InChIKey of (1-hydroxycyclopentyl)-(3-methyl-4-phenylpiperidin-1-yl)methanone?
The InChIKey is HNYKAVXDMZFUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-14-13-19(17(20)18(21)10-5-6-11-18)12-9-16(14)15-7-3-2-4-8-15/h2-4,7-8,14,16,21H,5-6,9-13H2,1H3.
What are the key properties of (1-hydroxycyclopentyl)-(3-methyl-4-phenylpiperidin-1-yl)methanone?
(1-hydroxycyclopentyl)-(3-methyl-4-phenylpiperidin-1-yl)methanone has a molecular weight of 287.40 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxycyclopentyl)-(3-methyl-4-phenylpiperidin-1-yl)methanone is sourced from PubChem (CID 111483037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).