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

C14H20INO — CID 86321735

IUPAC(3S)-3-[2-[(4-iodophenyl)methoxy]ethyl]piperidine
SMILESIc1ccc(COCC[C@@H]2CCCNC2)cc1
InChIInChI=1S/C14H20INO/c15-14-5-3-13(4-6-14)11-17-9-7-12-2-1-8-16-10-12/h3-6,12,16H,1-2,7-11H2/t12-/m0/s1
InChIKeyKUNOTBANLNLXPJ-LBPRGKRZSA-N
MW345.22 g/mol
LogP3.20
Rot. Bonds5

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

(3S)-3-[2-[(4-iodophenyl)methoxy]ethyl]piperidine (PubChem CID 86321735) has the molecular formula C14H20INO and a molecular weight of 345.22 g/mol. Its IUPAC name is (3S)-3-[2-[(4-iodophenyl)methoxy]ethyl]piperidine.

Molecular Properties

Compound Name(3S)-3-[2-[(4-iodophenyl)methoxy]ethyl]piperidine
PubChem CID86321735
Molecular FormulaC14H20INO
Molecular Weight345.22 g/mol
Exact Mass345.06
IUPAC Name(3S)-3-[2-[(4-iodophenyl)methoxy]ethyl]piperidine
SMILESIc1ccc(COCC[C@@H]2CCCNC2)cc1
InChIInChI=1S/C14H20INO/c15-14-5-3-13(4-6-14)11-17-9-7-12-2-1-8-16-10-12/h3-6,12,16H,1-2,7-11H2/t12-/m0/s1
InChIKeyKUNOTBANLNLXPJ-LBPRGKRZSA-N
XLogP3.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.22
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-[2-[(4-methylphenyl)methoxy]ethyl]piperidine
CID 86320853
(3S)-3-(2-phenylmethoxyethyl)piperidine
CID 26192382
(3R)-3-[2-(4-iodophenoxy)ethyl]piperidine
CID 86321285
3-[2-[(4-chloro-3-fluorophenyl)methoxy]ethyl]piperidine
CID 107882752
(3S)-3-[2-[(3-bromophenyl)methoxy]ethyl]piperidine
CID 86321717
3-[2-[(3-bromophenyl)methoxy]ethyl]piperidine
CID 56830508
(3R)-3-[2-[(3,5-dimethoxyphenyl)methoxy]ethyl]piperidine
CID 86321802
3-[(4-iodophenyl)methoxymethyl]pyrrolidine
CID 56830526
2-bromo-4-[2-[(3R)-piperidin-3-yl]ethoxymethyl]pyridine
CID 97178263
2-[2-[(4-iodophenyl)methoxy]ethyl]piperidine;hydrochloride
CID 56830523
3-[6-[(4-cyclohexylphenyl)methoxy]hexyl]azepane
CID 178064153
(3R)-3-[(4-bromophenyl)methoxymethyl]piperidine
CID 35754092

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[2-[(4-iodophenyl)methoxy]ethyl]piperidine?
The IUPAC name of (3S)-3-[2-[(4-iodophenyl)methoxy]ethyl]piperidine (CID 86321735) is (3S)-3-[2-[(4-iodophenyl)methoxy]ethyl]piperidine.
What is the SMILES notation for (3S)-3-[2-[(4-iodophenyl)methoxy]ethyl]piperidine?
The canonical SMILES for (3S)-3-[2-[(4-iodophenyl)methoxy]ethyl]piperidine is Ic1ccc(COCC[C@@H]2CCCNC2)cc1.
What is the InChIKey of (3S)-3-[2-[(4-iodophenyl)methoxy]ethyl]piperidine?
The InChIKey is KUNOTBANLNLXPJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H20INO/c15-14-5-3-13(4-6-14)11-17-9-7-12-2-1-8-16-10-12/h3-6,12,16H,1-2,7-11H2/t12-/m0/s1.
What are the key properties of (3S)-3-[2-[(4-iodophenyl)methoxy]ethyl]piperidine?
(3S)-3-[2-[(4-iodophenyl)methoxy]ethyl]piperidine has a molecular weight of 345.22 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[2-[(4-iodophenyl)methoxy]ethyl]piperidine is sourced from PubChem (CID 86321735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).