4-methylpentyl 2-piperidin-4-ylacetate

C13H25NO2 — CID 79608603

IUPAC4-methylpentyl 2-piperidin-4-ylacetate
SMILESCC(C)CCCOC(=O)CC1CCNCC1
InChIInChI=1S/C13H25NO2/c1-11(2)4-3-9-16-13(15)10-12-5-7-14-8-6-12/h11-12,14H,3-10H2,1-2H3
InChIKeyPTZBREPZNQDOGN-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.36
Rot. Bonds6

About 4-methylpentyl 2-piperidin-4-ylacetate

4-methylpentyl 2-piperidin-4-ylacetate (PubChem CID 79608603) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 4-methylpentyl 2-piperidin-4-ylacetate.

Molecular Properties

Compound Name4-methylpentyl 2-piperidin-4-ylacetate
PubChem CID79608603
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name4-methylpentyl 2-piperidin-4-ylacetate
SMILESCC(C)CCCOC(=O)CC1CCNCC1
InChIInChI=1S/C13H25NO2/c1-11(2)4-3-9-16-13(15)10-12-5-7-14-8-6-12/h11-12,14H,3-10H2,1-2H3
InChIKeyPTZBREPZNQDOGN-UHFFFAOYSA-N
XLogP2.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-O-(cyclohexylmethyl) 1-O-(4-methylpentyl) butanedioate
CID 91701965
4-methylpentyl 2-(3-methylazetidin-3-yl)oxyacetate
CID 102658404
4-methylpentyl cyclopropanecarboxylate
CID 550148
6-O-(cyclohexylmethyl) 1-O-(4-methylpentyl) hexanedioate
CID 91713284
bis(4-methylpentyl) heptadecanedioate
CID 87117081
2-piperidin-4-ylethyl propanoate
CID 53408774
N-(3-methylbutyl)-N'-(piperidin-4-ylmethyl)propane-1,3-diamine
CID 142367999
4-methyl-N-(piperidin-4-ylmethyl)pentanamide
CID 28779882
bis(4-methylpentyl) oxalate
CID 6420411
4-methylpentyl 16-methylheptadecanoate
CID 118937191
ethane;3-methyl-1-piperidin-4-ylbutan-2-one
CID 172604297
4-methylpentyl 3-[3,4-bis[3-(4-methylpentoxy)-3-oxopropyl]cyclohexyl]propanoate
CID 156758333

Frequently Asked Questions

What is the IUPAC name of 4-methylpentyl 2-piperidin-4-ylacetate?
The IUPAC name of 4-methylpentyl 2-piperidin-4-ylacetate (CID 79608603) is 4-methylpentyl 2-piperidin-4-ylacetate.
What is the SMILES notation for 4-methylpentyl 2-piperidin-4-ylacetate?
The canonical SMILES for 4-methylpentyl 2-piperidin-4-ylacetate is CC(C)CCCOC(=O)CC1CCNCC1.
What is the InChIKey of 4-methylpentyl 2-piperidin-4-ylacetate?
The InChIKey is PTZBREPZNQDOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-11(2)4-3-9-16-13(15)10-12-5-7-14-8-6-12/h11-12,14H,3-10H2,1-2H3.
What are the key properties of 4-methylpentyl 2-piperidin-4-ylacetate?
4-methylpentyl 2-piperidin-4-ylacetate has a molecular weight of 227.35 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpentyl 2-piperidin-4-ylacetate is sourced from PubChem (CID 79608603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).