(2R)-2-(2,3-dichlorophenyl)piperidin-1-ium

C11H14Cl2N+ — CID 7048050

IUPAC(2R)-2-(2,3-dichlorophenyl)piperidin-1-ium
SMILESClc1cccc([C@H]2CCCC[NH2+]2)c1Cl
InChIInChI=1S/C11H13Cl2N/c12-9-5-3-4-8(11(9)13)10-6-1-2-7-14-10/h3-5,10,14H,1-2,6-7H2/p+1/t10-/m1/s1
InChIKeySVTIFKIPTUYJLE-SNVBAGLBSA-O
MW231.15 g/mol
LogP2.78
Rot. Bonds1

About (2R)-2-(2,3-dichlorophenyl)piperidin-1-ium

(2R)-2-(2,3-dichlorophenyl)piperidin-1-ium (PubChem CID 7048050) has the molecular formula C11H14Cl2N+ and a molecular weight of 231.15 g/mol. Its IUPAC name is (2R)-2-(2,3-dichlorophenyl)piperidin-1-ium.

Molecular Properties

Compound Name(2R)-2-(2,3-dichlorophenyl)piperidin-1-ium
PubChem CID7048050
Molecular FormulaC11H14Cl2N+
Molecular Weight231.15 g/mol
Exact Mass230.05
IUPAC Name(2R)-2-(2,3-dichlorophenyl)piperidin-1-ium
SMILESClc1cccc([C@H]2CCCC[NH2+]2)c1Cl
InChIInChI=1S/C11H13Cl2N/c12-9-5-3-4-8(11(9)13)10-6-1-2-7-14-10/h3-5,10,14H,1-2,6-7H2/p+1/t10-/m1/s1
InChIKeySVTIFKIPTUYJLE-SNVBAGLBSA-O
XLogP2.78
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.15
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 12595071
1-(3-Chlorobenzyl)piperazine
CID 764727
3-(3,4-Dichlorophenyl)-2-nortropene
CID 10220657
(RS/SR)-2-[1-(3,4-dichlorophenyl)butyl]piperidine
CID 16102764
8,9-Dichloro-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 121938
D-103 (FDA NDC: 58264-0109)
CID 11957540
1-(2-(2-Chlorophenyl)-1-phenylethyl)piperazine
CID 44414719
1-(2-(3-Chlorophenyl)-1-phenylethyl)piperazine
CID 44414720
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CID 160796

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,3-dichlorophenyl)piperidin-1-ium?
The IUPAC name of (2R)-2-(2,3-dichlorophenyl)piperidin-1-ium (CID 7048050) is (2R)-2-(2,3-dichlorophenyl)piperidin-1-ium.
What is the SMILES notation for (2R)-2-(2,3-dichlorophenyl)piperidin-1-ium?
The canonical SMILES for (2R)-2-(2,3-dichlorophenyl)piperidin-1-ium is Clc1cccc([C@H]2CCCC[NH2+]2)c1Cl.
What is the InChIKey of (2R)-2-(2,3-dichlorophenyl)piperidin-1-ium?
The InChIKey is SVTIFKIPTUYJLE-SNVBAGLBSA-O. The full InChI is InChI=1S/C11H13Cl2N/c12-9-5-3-4-8(11(9)13)10-6-1-2-7-14-10/h3-5,10,14H,1-2,6-7H2/p+1/t10-/m1/s1.
What are the key properties of (2R)-2-(2,3-dichlorophenyl)piperidin-1-ium?
(2R)-2-(2,3-dichlorophenyl)piperidin-1-ium has a molecular weight of 231.15 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,3-dichlorophenyl)piperidin-1-ium is sourced from PubChem (CID 7048050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).