carbon dioxide;4-propylpiperidine

C9H17NO2 — CID 162153913

IUPACcarbon dioxide;4-propylpiperidine
SMILESCCCC1CCNCC1.O=C=O
InChIInChI=1S/C8H17N.CO2/c1-2-3-8-4-6-9-7-5-8;2-1-3/h8-9H,2-7H2,1H3;
InChIKeyZLOLSCAAULQUMT-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.20
Rot. Bonds2

About carbon dioxide;4-propylpiperidine

carbon dioxide;4-propylpiperidine (PubChem CID 162153913) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is carbon dioxide;4-propylpiperidine.

Molecular Properties

Compound Namecarbon dioxide;4-propylpiperidine
PubChem CID162153913
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Namecarbon dioxide;4-propylpiperidine
SMILESCCCC1CCNCC1.O=C=O
InChIInChI=1S/C8H17N.CO2/c1-2-3-8-4-6-9-7-5-8;2-1-3/h8-9H,2-7H2,1H3;
InChIKeyZLOLSCAAULQUMT-UHFFFAOYSA-N
XLogP1.20
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;4-propylpiperidine
CID 142071399
4-butylpiperidine;isocyanic acid
CID 175010642
4-hexadecylpiperidine
CID 54096875
4-heptylpiperidine;methane
CID 144690559
4-butylpiperidine;formonitrile
CID 142168007
1-piperidin-4-yl-4-propylpiperidine
CID 62199816
2-piperidin-4-ylethyl butanoate
CID 174737441
piperazine;4-(3-piperidin-4-ylpropyl)piperidine
CID 143744833
diethyl 2-(2-piperidin-4-ylethyl)propanedioate
CID 57155204
ethane;propane;propylcyclopropane
CID 145406182
2-piperidin-4-ylethyl propanoate
CID 53408774
4-pentylazecane
CID 166829392

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;4-propylpiperidine?
The IUPAC name of carbon dioxide;4-propylpiperidine (CID 162153913) is carbon dioxide;4-propylpiperidine.
What is the SMILES notation for carbon dioxide;4-propylpiperidine?
The canonical SMILES for carbon dioxide;4-propylpiperidine is CCCC1CCNCC1.O=C=O.
What is the InChIKey of carbon dioxide;4-propylpiperidine?
The InChIKey is ZLOLSCAAULQUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.CO2/c1-2-3-8-4-6-9-7-5-8;2-1-3/h8-9H,2-7H2,1H3;.
What are the key properties of carbon dioxide;4-propylpiperidine?
carbon dioxide;4-propylpiperidine has a molecular weight of 171.24 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;4-propylpiperidine is sourced from PubChem (CID 162153913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).