1-piperidin-2-ylpropan-2-yl formate

C9H17NO2 — CID 175103047

IUPAC1-piperidin-2-ylpropan-2-yl formate
SMILESCC(CC1CCCCN1)OC=O
InChIInChI=1S/C9H17NO2/c1-8(12-7-11)6-9-4-2-3-5-10-9/h7-10H,2-6H2,1H3
InChIKeyJZXUMVUBCNPIIG-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.08
Rot. Bonds4

About 1-piperidin-2-ylpropan-2-yl formate

1-piperidin-2-ylpropan-2-yl formate (PubChem CID 175103047) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 1-piperidin-2-ylpropan-2-yl formate.

Molecular Properties

Compound Name1-piperidin-2-ylpropan-2-yl formate
PubChem CID175103047
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name1-piperidin-2-ylpropan-2-yl formate
SMILESCC(CC1CCCCN1)OC=O
InChIInChI=1S/C9H17NO2/c1-8(12-7-11)6-9-4-2-3-5-10-9/h7-10H,2-6H2,1H3
InChIKeyJZXUMVUBCNPIIG-UHFFFAOYSA-N
XLogP1.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-(azocan-2-yl)-3-methylbutan-2-one
CID 130491231
(2R)-2-methyl-3-[(2S)-piperidin-2-yl]propanoic acid
CID 124547717
1-(1-piperidin-2-ylpropan-2-yl)azocane
CID 113462116
4-(1-piperidin-2-ylpropan-2-yloxy)phenol
CID 105496690
(2S,6R)-2,6-dimethyl-1-(1-piperidin-2-ylpropan-2-yl)piperidine
CID 104969260
1-[(2R)-azepan-2-yl]propan-2-one
CID 97048950
N-(cyclobutylmethyl)-1-piperidin-2-ylpropan-2-amine
CID 79549693
(2S,3R)-4,4-dimethyl-1-[(2R)-piperidin-2-yl]pentane-2,3-diol
CID 11746013
ethane;methyl 2-piperidin-2-ylacetate
CID 168986004
pyrrolidin-2-ylmethyl 2-methylpropanoate
CID 20612613
methyl 2-(azocan-2-yl)acetate
CID 86040521
2-[2-(3-methylphenoxy)propyl]piperidine
CID 105493585

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-2-ylpropan-2-yl formate?
The IUPAC name of 1-piperidin-2-ylpropan-2-yl formate (CID 175103047) is 1-piperidin-2-ylpropan-2-yl formate.
What is the SMILES notation for 1-piperidin-2-ylpropan-2-yl formate?
The canonical SMILES for 1-piperidin-2-ylpropan-2-yl formate is CC(CC1CCCCN1)OC=O.
What is the InChIKey of 1-piperidin-2-ylpropan-2-yl formate?
The InChIKey is JZXUMVUBCNPIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-8(12-7-11)6-9-4-2-3-5-10-9/h7-10H,2-6H2,1H3.
What are the key properties of 1-piperidin-2-ylpropan-2-yl formate?
1-piperidin-2-ylpropan-2-yl formate has a molecular weight of 171.24 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-2-ylpropan-2-yl formate is sourced from PubChem (CID 175103047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).