(3S)-3-[2-[(2,4-dichlorophenyl)methoxy]ethyl]piperidine

C14H19Cl2NO — CID 86320757

IUPAC(3S)-3-[2-[(2,4-dichlorophenyl)methoxy]ethyl]piperidine
SMILESClc1ccc(COCC[C@@H]2CCCNC2)c(Cl)c1
InChIInChI=1S/C14H19Cl2NO/c15-13-4-3-12(14(16)8-13)10-18-7-5-11-2-1-6-17-9-11/h3-4,8,11,17H,1-2,5-7,9-10H2/t11-/m0/s1
InChIKeyBKAPOHXRFFETFZ-NSHDSACASA-N
MW288.22 g/mol
LogP3.90
Rot. Bonds5

About (3S)-3-[2-[(2,4-dichlorophenyl)methoxy]ethyl]piperidine

(3S)-3-[2-[(2,4-dichlorophenyl)methoxy]ethyl]piperidine (PubChem CID 86320757) has the molecular formula C14H19Cl2NO and a molecular weight of 288.22 g/mol. Its IUPAC name is (3S)-3-[2-[(2,4-dichlorophenyl)methoxy]ethyl]piperidine.

Molecular Properties

Compound Name(3S)-3-[2-[(2,4-dichlorophenyl)methoxy]ethyl]piperidine
PubChem CID86320757
Molecular FormulaC14H19Cl2NO
Molecular Weight288.22 g/mol
Exact Mass287.08
IUPAC Name(3S)-3-[2-[(2,4-dichlorophenyl)methoxy]ethyl]piperidine
SMILESClc1ccc(COCC[C@@H]2CCCNC2)c(Cl)c1
InChIInChI=1S/C14H19Cl2NO/c15-13-4-3-12(14(16)8-13)10-18-7-5-11-2-1-6-17-9-11/h3-4,8,11,17H,1-2,5-7,9-10H2/t11-/m0/s1
InChIKeyBKAPOHXRFFETFZ-NSHDSACASA-N
XLogP3.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-[2-(2,4-dichlorophenoxy)ethyl]piperidine
CID 86320969
(3S)-3-[(2,4-dichlorophenyl)methoxy]piperidine
CID 66245197
3-[2-[(4-chloro-3-fluorophenyl)methoxy]ethyl]piperidine
CID 107882752
3-chloro-4-(2-pyrrolidin-3-ylethoxymethyl)benzamide
CID 102668901
(3S)-3-(2-phenylmethoxyethyl)piperidine
CID 26192382
(3S)-3-[2-[(4-iodophenyl)methoxy]ethyl]piperidine
CID 86321735
3-[2-(3-chlorophenoxy)ethyl]piperidine
CID 22309129
(3S)-3-[2-[(4-methylphenyl)methoxy]ethyl]piperidine
CID 86320853
2-chloro-4-[2-[(3S)-piperidin-3-yl]ethoxymethyl]pyrimidine
CID 97163935
3-[2-[(3-bromophenyl)methoxy]ethyl]piperidine
CID 56830508
(3S)-3-[2-[(3-bromophenyl)methoxy]ethyl]piperidine
CID 86321717
2-(2,4-dichlorophenyl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119459765

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[2-[(2,4-dichlorophenyl)methoxy]ethyl]piperidine?
The IUPAC name of (3S)-3-[2-[(2,4-dichlorophenyl)methoxy]ethyl]piperidine (CID 86320757) is (3S)-3-[2-[(2,4-dichlorophenyl)methoxy]ethyl]piperidine.
What is the SMILES notation for (3S)-3-[2-[(2,4-dichlorophenyl)methoxy]ethyl]piperidine?
The canonical SMILES for (3S)-3-[2-[(2,4-dichlorophenyl)methoxy]ethyl]piperidine is Clc1ccc(COCC[C@@H]2CCCNC2)c(Cl)c1.
What is the InChIKey of (3S)-3-[2-[(2,4-dichlorophenyl)methoxy]ethyl]piperidine?
The InChIKey is BKAPOHXRFFETFZ-NSHDSACASA-N. The full InChI is InChI=1S/C14H19Cl2NO/c15-13-4-3-12(14(16)8-13)10-18-7-5-11-2-1-6-17-9-11/h3-4,8,11,17H,1-2,5-7,9-10H2/t11-/m0/s1.
What are the key properties of (3S)-3-[2-[(2,4-dichlorophenyl)methoxy]ethyl]piperidine?
(3S)-3-[2-[(2,4-dichlorophenyl)methoxy]ethyl]piperidine has a molecular weight of 288.22 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[2-[(2,4-dichlorophenyl)methoxy]ethyl]piperidine is sourced from PubChem (CID 86320757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).