(2S,6R)-1-(3-chloropropyl)-2,6-dimethylpiperidine;hydrochloride

C10H21Cl2N — CID 12923592

IUPAC(2S,6R)-1-(3-chloropropyl)-2,6-dimethylpiperidine;hydrochloride
SMILESC[C@@H]1CCC[C@H](C)N1CCCCl.Cl
InChIInChI=1S/C10H20ClN.ClH/c1-9-5-3-6-10(2)12(9)8-4-7-11;/h9-10H,3-8H2,1-2H3;1H/t9-,10+;
InChIKeyCEEKMXMGOHQJAL-JMVWIVNTSA-N
MW226.19 g/mol
LogP3.30
Rot. Bonds3

About (2S,6R)-1-(3-chloropropyl)-2,6-dimethylpiperidine;hydrochloride

(2S,6R)-1-(3-chloropropyl)-2,6-dimethylpiperidine;hydrochloride (PubChem CID 12923592) has the molecular formula C10H21Cl2N and a molecular weight of 226.19 g/mol. Its IUPAC name is (2S,6R)-1-(3-chloropropyl)-2,6-dimethylpiperidine;hydrochloride.

Molecular Properties

Compound Name(2S,6R)-1-(3-chloropropyl)-2,6-dimethylpiperidine;hydrochloride
PubChem CID12923592
Molecular FormulaC10H21Cl2N
Molecular Weight226.19 g/mol
Exact Mass225.11
IUPAC Name(2S,6R)-1-(3-chloropropyl)-2,6-dimethylpiperidine;hydrochloride
SMILESC[C@@H]1CCC[C@H](C)N1CCCCl.Cl
InChIInChI=1S/C10H20ClN.ClH/c1-9-5-3-6-10(2)12(9)8-4-7-11;/h9-10H,3-8H2,1-2H3;1H/t9-,10+;
InChIKeyCEEKMXMGOHQJAL-JMVWIVNTSA-N
XLogP3.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.19
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,6R)-1-(3-chloropropyl)-2,6-dimethylpiperidine;hydrochloride?
The IUPAC name of (2S,6R)-1-(3-chloropropyl)-2,6-dimethylpiperidine;hydrochloride (CID 12923592) is (2S,6R)-1-(3-chloropropyl)-2,6-dimethylpiperidine;hydrochloride.
What is the SMILES notation for (2S,6R)-1-(3-chloropropyl)-2,6-dimethylpiperidine;hydrochloride?
The canonical SMILES for (2S,6R)-1-(3-chloropropyl)-2,6-dimethylpiperidine;hydrochloride is C[C@@H]1CCC[C@H](C)N1CCCCl.Cl.
What is the InChIKey of (2S,6R)-1-(3-chloropropyl)-2,6-dimethylpiperidine;hydrochloride?
The InChIKey is CEEKMXMGOHQJAL-JMVWIVNTSA-N. The full InChI is InChI=1S/C10H20ClN.ClH/c1-9-5-3-6-10(2)12(9)8-4-7-11;/h9-10H,3-8H2,1-2H3;1H/t9-,10+;.
What are the key properties of (2S,6R)-1-(3-chloropropyl)-2,6-dimethylpiperidine;hydrochloride?
(2S,6R)-1-(3-chloropropyl)-2,6-dimethylpiperidine;hydrochloride has a molecular weight of 226.19 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-1-(3-chloropropyl)-2,6-dimethylpiperidine;hydrochloride is sourced from PubChem (CID 12923592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).