ethyl 1-heptylpiperidine-4-carboxylate

C15H29NO2 — CID 11777142

IUPACethyl 1-heptylpiperidine-4-carboxylate
SMILESCCCCCCCN1CCC(C(=O)OCC)CC1
InChIInChI=1S/C15H29NO2/c1-3-5-6-7-8-11-16-12-9-14(10-13-16)15(17)18-4-2/h14H,3-13H2,1-2H3
InChIKeyXFKLQSGGOBPOQV-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.23
Rot. Bonds8

About ethyl 1-heptylpiperidine-4-carboxylate

ethyl 1-heptylpiperidine-4-carboxylate (PubChem CID 11777142) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is ethyl 1-heptylpiperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-heptylpiperidine-4-carboxylate
PubChem CID11777142
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Nameethyl 1-heptylpiperidine-4-carboxylate
SMILESCCCCCCCN1CCC(C(=O)OCC)CC1
InChIInChI=1S/C15H29NO2/c1-3-5-6-7-8-11-16-12-9-14(10-13-16)15(17)18-4-2/h14H,3-13H2,1-2H3
InChIKeyXFKLQSGGOBPOQV-UHFFFAOYSA-N
XLogP3.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(4-ethoxycarbonylpiperidin-1-yl)pentanoic acid
CID 118951815
ethyl 1-(2-aminoethyl)piperidine-4-carboxylate;dihydrochloride
CID 46172885
1-[2-(4-ethoxycarbonylpiperidin-1-yl)ethyl]piperidine-4-carboxylic acid
CID 172515768
ethyl 1-(4,4,4-trifluorobutyl)piperidine-4-carboxylate
CID 115518003
ethyl (3S)-1-hexylpiperidine-3-carboxylate
CID 81337885
1-octadecylpiperidine-4-carboxamide
CID 4134920
ethyl 1-ethylpiperidine-4-carboxylate
CID 11106043
ethyl 1-dodecylpiperidine-3-carboxylate;hydrochloride
CID 117069127
ethyl 1-(3-azidopropyl)piperidine-4-carboxylate
CID 61396666
1-octylpiperidine-4-carboxylic acid
CID 14745626
1-dodecylpiperidine-4-carboxylic acid
CID 62064821
ethyl 1-[2-(4-iodopiperazin-1-yl)ethyl]piperidine-4-carboxylate
CID 144962699

Frequently Asked Questions

What is the IUPAC name of ethyl 1-heptylpiperidine-4-carboxylate?
The IUPAC name of ethyl 1-heptylpiperidine-4-carboxylate (CID 11777142) is ethyl 1-heptylpiperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-heptylpiperidine-4-carboxylate?
The canonical SMILES for ethyl 1-heptylpiperidine-4-carboxylate is CCCCCCCN1CCC(C(=O)OCC)CC1.
What is the InChIKey of ethyl 1-heptylpiperidine-4-carboxylate?
The InChIKey is XFKLQSGGOBPOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-3-5-6-7-8-11-16-12-9-14(10-13-16)15(17)18-4-2/h14H,3-13H2,1-2H3.
What are the key properties of ethyl 1-heptylpiperidine-4-carboxylate?
ethyl 1-heptylpiperidine-4-carboxylate has a molecular weight of 255.40 g/mol, XLogP of 3.23, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-heptylpiperidine-4-carboxylate is sourced from PubChem (CID 11777142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).