1-(3-hydroxy-8-azabicyclo[3.2.1]octan-1-yl)-2-piperidin-3-ylethanone

C14H24N2O2 — CID 69154334

IUPAC1-(3-hydroxy-8-azabicyclo[3.2.1]octan-1-yl)-2-piperidin-3-ylethanone
SMILESO=C(CC1CCCNC1)C12CCC(CC(O)C1)N2
InChIInChI=1S/C14H24N2O2/c17-12-7-11-3-4-14(8-12,16-11)13(18)6-10-2-1-5-15-9-10/h10-12,15-17H,1-9H2
InChIKeyOACRJYHUWWTWNE-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.59
Rot. Bonds3

About 1-(3-hydroxy-8-azabicyclo[3.2.1]octan-1-yl)-2-piperidin-3-ylethanone

1-(3-hydroxy-8-azabicyclo[3.2.1]octan-1-yl)-2-piperidin-3-ylethanone (PubChem CID 69154334) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-(3-hydroxy-8-azabicyclo[3.2.1]octan-1-yl)-2-piperidin-3-ylethanone.

Molecular Properties

Compound Name1-(3-hydroxy-8-azabicyclo[3.2.1]octan-1-yl)-2-piperidin-3-ylethanone
PubChem CID69154334
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name1-(3-hydroxy-8-azabicyclo[3.2.1]octan-1-yl)-2-piperidin-3-ylethanone
SMILESO=C(CC1CCCNC1)C12CCC(CC(O)C1)N2
InChIInChI=1S/C14H24N2O2/c17-12-7-11-3-4-14(8-12,16-11)13(18)6-10-2-1-5-15-9-10/h10-12,15-17H,1-9H2
InChIKeyOACRJYHUWWTWNE-UHFFFAOYSA-N
XLogP0.59
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-oxaspiro[3.5]nonan-8-yl)-2-piperidin-3-ylethanone
CID 116564109
N-oxo-2-piperidin-3-ylacetamide
CID 163768787
1-(piperidin-3-ylmethyl)cyclobutan-1-ol
CID 115071581
N-(3-hydroxycyclohexyl)-2-piperidin-3-ylacetamide
CID 62675235
N-(piperidin-3-ylmethyl)adamantane-1-carboxamide;hydrochloride
CID 119462908
S-methyl 2-piperidin-3-ylethanethioate
CID 117125822
2-(piperidin-3-ylmethyl)prop-2-enoic acid
CID 117266961
1-(1-oxo-1,4-thiazinan-4-yl)-2-piperidin-3-ylethanone
CID 62691071
1-(3-azaspiro[5.5]undecan-3-yl)-2-piperidin-3-ylethanone
CID 62932288
N,N-bis(cyanomethyl)-2-piperidin-3-ylacetamide
CID 62675226
methyl 2-piperidin-3-ylacetate;dihydrochloride
CID 141033576
piperidin-3-ylmethanol
CID 161361606

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-8-azabicyclo[3.2.1]octan-1-yl)-2-piperidin-3-ylethanone?
The IUPAC name of 1-(3-hydroxy-8-azabicyclo[3.2.1]octan-1-yl)-2-piperidin-3-ylethanone (CID 69154334) is 1-(3-hydroxy-8-azabicyclo[3.2.1]octan-1-yl)-2-piperidin-3-ylethanone.
What is the SMILES notation for 1-(3-hydroxy-8-azabicyclo[3.2.1]octan-1-yl)-2-piperidin-3-ylethanone?
The canonical SMILES for 1-(3-hydroxy-8-azabicyclo[3.2.1]octan-1-yl)-2-piperidin-3-ylethanone is O=C(CC1CCCNC1)C12CCC(CC(O)C1)N2.
What is the InChIKey of 1-(3-hydroxy-8-azabicyclo[3.2.1]octan-1-yl)-2-piperidin-3-ylethanone?
The InChIKey is OACRJYHUWWTWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c17-12-7-11-3-4-14(8-12,16-11)13(18)6-10-2-1-5-15-9-10/h10-12,15-17H,1-9H2.
What are the key properties of 1-(3-hydroxy-8-azabicyclo[3.2.1]octan-1-yl)-2-piperidin-3-ylethanone?
1-(3-hydroxy-8-azabicyclo[3.2.1]octan-1-yl)-2-piperidin-3-ylethanone has a molecular weight of 252.36 g/mol, XLogP of 0.59, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-8-azabicyclo[3.2.1]octan-1-yl)-2-piperidin-3-ylethanone is sourced from PubChem (CID 69154334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).