3-(2-chloroethyl)-1-heptylpiperidine

C14H28ClN — CID 55218345

IUPAC3-(2-chloroethyl)-1-heptylpiperidine
SMILESCCCCCCCN1CCCC(CCCl)C1
InChIInChI=1S/C14H28ClN/c1-2-3-4-5-6-11-16-12-7-8-14(13-16)9-10-15/h14H,2-13H2,1H3
InChIKeyUASPPCVJUMYTNR-UHFFFAOYSA-N
MW245.84 g/mol
LogP4.30
Rot. Bonds8

About 3-(2-chloroethyl)-1-heptylpiperidine

3-(2-chloroethyl)-1-heptylpiperidine (PubChem CID 55218345) has the molecular formula C14H28ClN and a molecular weight of 245.84 g/mol. Its IUPAC name is 3-(2-chloroethyl)-1-heptylpiperidine.

Molecular Properties

Compound Name3-(2-chloroethyl)-1-heptylpiperidine
PubChem CID55218345
Molecular FormulaC14H28ClN
Molecular Weight245.84 g/mol
Exact Mass245.19
IUPAC Name3-(2-chloroethyl)-1-heptylpiperidine
SMILESCCCCCCCN1CCCC(CCCl)C1
InChIInChI=1S/C14H28ClN/c1-2-3-4-5-6-11-16-12-7-8-14(13-16)9-10-15/h14H,2-13H2,1H3
InChIKeyUASPPCVJUMYTNR-UHFFFAOYSA-N
XLogP4.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.84
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloroethyl)-1-heptylpiperidine?
The IUPAC name of 3-(2-chloroethyl)-1-heptylpiperidine (CID 55218345) is 3-(2-chloroethyl)-1-heptylpiperidine.
What is the SMILES notation for 3-(2-chloroethyl)-1-heptylpiperidine?
The canonical SMILES for 3-(2-chloroethyl)-1-heptylpiperidine is CCCCCCCN1CCCC(CCCl)C1.
What is the InChIKey of 3-(2-chloroethyl)-1-heptylpiperidine?
The InChIKey is UASPPCVJUMYTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28ClN/c1-2-3-4-5-6-11-16-12-7-8-14(13-16)9-10-15/h14H,2-13H2,1H3.
What are the key properties of 3-(2-chloroethyl)-1-heptylpiperidine?
3-(2-chloroethyl)-1-heptylpiperidine has a molecular weight of 245.84 g/mol, XLogP of 4.30, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloroethyl)-1-heptylpiperidine is sourced from PubChem (CID 55218345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).