(2S)-1-[(1S)-1-(4-iodophenyl)ethyl]-2-methylpiperidine

C14H20IN — CID 59890825

IUPAC(2S)-1-[(1S)-1-(4-iodophenyl)ethyl]-2-methylpiperidine
SMILESC[C@H]1CCCCN1[C@@H](C)c1ccc(I)cc1
InChIInChI=1S/C14H20IN/c1-11-5-3-4-10-16(11)12(2)13-6-8-14(15)9-7-13/h6-9,11-12H,3-5,10H2,1-2H3/t11-,12-/m0/s1
InChIKeyJWFPAFRSNRHZNR-RYUDHWBXSA-N
MW329.23 g/mol
LogP4.23
Rot. Bonds2

About (2S)-1-[(1S)-1-(4-iodophenyl)ethyl]-2-methylpiperidine

(2S)-1-[(1S)-1-(4-iodophenyl)ethyl]-2-methylpiperidine (PubChem CID 59890825) has the molecular formula C14H20IN and a molecular weight of 329.23 g/mol. Its IUPAC name is (2S)-1-[(1S)-1-(4-iodophenyl)ethyl]-2-methylpiperidine.

Molecular Properties

Compound Name(2S)-1-[(1S)-1-(4-iodophenyl)ethyl]-2-methylpiperidine
PubChem CID59890825
Molecular FormulaC14H20IN
Molecular Weight329.23 g/mol
Exact Mass329.06
IUPAC Name(2S)-1-[(1S)-1-(4-iodophenyl)ethyl]-2-methylpiperidine
SMILESC[C@H]1CCCCN1[C@@H](C)c1ccc(I)cc1
InChIInChI=1S/C14H20IN/c1-11-5-3-4-10-16(11)12(2)13-6-8-14(15)9-7-13/h6-9,11-12H,3-5,10H2,1-2H3/t11-,12-/m0/s1
InChIKeyJWFPAFRSNRHZNR-RYUDHWBXSA-N
XLogP4.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.23
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1-[(1S)-1-phenylethyl]pyrrolidine
CID 141078428
1-[1-(4-iodophenyl)ethyl]-2-methylaziridine
CID 155022245
1-[1-(4-iodophenyl)ethyl]-2-methylpiperidine-4-carboxylic acid
CID 114083273
2-(2-methylpiperidin-1-yl)-2-(4-propan-2-ylphenyl)ethanamine
CID 43180363
1-[(4-iodophenyl)methyl]-2-methylpiperidine
CID 65477935
2-[1-(2-methylazepan-1-yl)ethyl]benzene-1,3-diol
CID 107711969
1-[1-(4-iodophenyl)ethyl]azetidine
CID 130668463
ethane;2-methyl-1-propan-2-ylpiperidine
CID 143195459
2-methyl-1-propan-2-ylazepane
CID 66910895
1-[1-[1-(4-ethylphenyl)ethyl]piperidin-2-yl]ethanamine
CID 63254747
4-methyl-2-[1-(2-methylazepan-1-yl)ethyl]phenol
CID 82981091
4-[1-[2-(1-aminoethyl)piperidin-1-yl]ethyl]phenol
CID 55169337

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(1S)-1-(4-iodophenyl)ethyl]-2-methylpiperidine?
The IUPAC name of (2S)-1-[(1S)-1-(4-iodophenyl)ethyl]-2-methylpiperidine (CID 59890825) is (2S)-1-[(1S)-1-(4-iodophenyl)ethyl]-2-methylpiperidine.
What is the SMILES notation for (2S)-1-[(1S)-1-(4-iodophenyl)ethyl]-2-methylpiperidine?
The canonical SMILES for (2S)-1-[(1S)-1-(4-iodophenyl)ethyl]-2-methylpiperidine is C[C@H]1CCCCN1[C@@H](C)c1ccc(I)cc1.
What is the InChIKey of (2S)-1-[(1S)-1-(4-iodophenyl)ethyl]-2-methylpiperidine?
The InChIKey is JWFPAFRSNRHZNR-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H20IN/c1-11-5-3-4-10-16(11)12(2)13-6-8-14(15)9-7-13/h6-9,11-12H,3-5,10H2,1-2H3/t11-,12-/m0/s1.
What are the key properties of (2S)-1-[(1S)-1-(4-iodophenyl)ethyl]-2-methylpiperidine?
(2S)-1-[(1S)-1-(4-iodophenyl)ethyl]-2-methylpiperidine has a molecular weight of 329.23 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(1S)-1-(4-iodophenyl)ethyl]-2-methylpiperidine is sourced from PubChem (CID 59890825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).