(3R,4R)-4-[2-(3-chlorophenoxy)ethyl]-3-methoxy-1-pentylpiperidine

C19H30ClNO2 — CID 18394749

IUPAC(3R,4R)-4-[2-(3-chlorophenoxy)ethyl]-3-methoxy-1-pentylpiperidine
SMILESCCCCCN1CC[C@H](CCOc2cccc(Cl)c2)[C@@H](OC)C1
InChIInChI=1S/C19H30ClNO2/c1-3-4-5-11-21-12-9-16(19(15-21)22-2)10-13-23-18-8-6-7-17(20)14-18/h6-8,14,16,19H,3-5,9-13,15H2,1-2H3/t16-,19+/m1/s1
InChIKeyMFVMXNJVTMCZKS-APWZRJJASA-N
MW339.91 g/mol
LogP4.64
Rot. Bonds9

About (3R,4R)-4-[2-(3-chlorophenoxy)ethyl]-3-methoxy-1-pentylpiperidine

(3R,4R)-4-[2-(3-chlorophenoxy)ethyl]-3-methoxy-1-pentylpiperidine (PubChem CID 18394749) has the molecular formula C19H30ClNO2 and a molecular weight of 339.91 g/mol. Its IUPAC name is (3R,4R)-4-[2-(3-chlorophenoxy)ethyl]-3-methoxy-1-pentylpiperidine.

Molecular Properties

Compound Name(3R,4R)-4-[2-(3-chlorophenoxy)ethyl]-3-methoxy-1-pentylpiperidine
PubChem CID18394749
Molecular FormulaC19H30ClNO2
Molecular Weight339.91 g/mol
Exact Mass339.20
IUPAC Name(3R,4R)-4-[2-(3-chlorophenoxy)ethyl]-3-methoxy-1-pentylpiperidine
SMILESCCCCCN1CC[C@H](CCOc2cccc(Cl)c2)[C@@H](OC)C1
InChIInChI=1S/C19H30ClNO2/c1-3-4-5-11-21-12-9-16(19(15-21)22-2)10-13-23-18-8-6-7-17(20)14-18/h6-8,14,16,19H,3-5,9-13,15H2,1-2H3/t16-,19+/m1/s1
InChIKeyMFVMXNJVTMCZKS-APWZRJJASA-N
XLogP4.64
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.91
LogP ≤ 54.64
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

(3R,4R)-3-methoxy-1-pentyl-4-[2-(3-propan-2-yloxyphenoxy)ethyl]piperidine
CID 18394750
(3S,4R)-3-methoxy-4-[2-(3-methoxyphenoxy)ethyl]-1-pentylpiperidine;oxalic acid
CID 158967842
(3R,4S)-3-methoxy-4-[2-(4-nitrophenoxy)ethyl]-1-pentylpiperidine
CID 18394732
[1-[3-(3-chlorophenoxy)propyl]pyrrolidin-3-yl]methanol
CID 111442585
(3S,4S)-4-[2-(3,4-dichlorophenoxy)ethyl]-3-(3-methylbut-2-enoxy)-1-pentylpiperidine;oxalic acid
CID 160866816
4-[2-(3,5-dichlorophenoxy)ethyl]-1-pentylpiperidine
CID 54424720
1-[3-(3-chlorophenoxy)propyl]piperidin-3-ol
CID 110908224
(2S,6S)-4-[4-(3-chlorophenoxy)butyl]-2,6-dimethylmorpholine
CID 2182958
1-[6-(3-chlorophenoxy)hexyl]piperidine
CID 2057716
1-[6-(3-chlorophenoxy)hexyl]azepane
CID 127038677
(2S)-4-[2-(3-chlorophenoxy)ethyl]-1-(2-methoxyethyl)-2-methylpiperazine
CID 95348975
1-[2-(3-chlorophenoxy)ethyl]-N-methylpiperidin-4-amine
CID 119923695

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-[2-(3-chlorophenoxy)ethyl]-3-methoxy-1-pentylpiperidine?
The IUPAC name of (3R,4R)-4-[2-(3-chlorophenoxy)ethyl]-3-methoxy-1-pentylpiperidine (CID 18394749) is (3R,4R)-4-[2-(3-chlorophenoxy)ethyl]-3-methoxy-1-pentylpiperidine.
What is the SMILES notation for (3R,4R)-4-[2-(3-chlorophenoxy)ethyl]-3-methoxy-1-pentylpiperidine?
The canonical SMILES for (3R,4R)-4-[2-(3-chlorophenoxy)ethyl]-3-methoxy-1-pentylpiperidine is CCCCCN1CC[C@H](CCOc2cccc(Cl)c2)[C@@H](OC)C1.
What is the InChIKey of (3R,4R)-4-[2-(3-chlorophenoxy)ethyl]-3-methoxy-1-pentylpiperidine?
The InChIKey is MFVMXNJVTMCZKS-APWZRJJASA-N. The full InChI is InChI=1S/C19H30ClNO2/c1-3-4-5-11-21-12-9-16(19(15-21)22-2)10-13-23-18-8-6-7-17(20)14-18/h6-8,14,16,19H,3-5,9-13,15H2,1-2H3/t16-,19+/m1/s1.
What are the key properties of (3R,4R)-4-[2-(3-chlorophenoxy)ethyl]-3-methoxy-1-pentylpiperidine?
(3R,4R)-4-[2-(3-chlorophenoxy)ethyl]-3-methoxy-1-pentylpiperidine has a molecular weight of 339.91 g/mol, XLogP of 4.64, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-[2-(3-chlorophenoxy)ethyl]-3-methoxy-1-pentylpiperidine is sourced from PubChem (CID 18394749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).