(3S)-3-chloro-1-(2-phenylethenyl)piperidine

C13H16ClN — CID 174317120

IUPAC(3S)-3-chloro-1-(2-phenylethenyl)piperidine
SMILESCl[C@H]1CCCN(C=Cc2ccccc2)C1
InChIInChI=1S/C13H16ClN/c14-13-7-4-9-15(11-13)10-8-12-5-2-1-3-6-12/h1-3,5-6,8,10,13H,4,7,9,11H2/t13-/m0/s1
InChIKeySTORVPRUKMRIOP-ZDUSSCGKSA-N
MW221.73 g/mol
LogP3.36
Rot. Bonds2

About (3S)-3-chloro-1-(2-phenylethenyl)piperidine

(3S)-3-chloro-1-(2-phenylethenyl)piperidine (PubChem CID 174317120) has the molecular formula C13H16ClN and a molecular weight of 221.73 g/mol. Its IUPAC name is (3S)-3-chloro-1-(2-phenylethenyl)piperidine.

Molecular Properties

Compound Name(3S)-3-chloro-1-(2-phenylethenyl)piperidine
PubChem CID174317120
Molecular FormulaC13H16ClN
Molecular Weight221.73 g/mol
Exact Mass221.10
IUPAC Name(3S)-3-chloro-1-(2-phenylethenyl)piperidine
SMILESCl[C@H]1CCCN(C=Cc2ccccc2)C1
InChIInChI=1S/C13H16ClN/c14-13-7-4-9-15(11-13)10-8-12-5-2-1-3-6-12/h1-3,5-6,8,10,13H,4,7,9,11H2/t13-/m0/s1
InChIKeySTORVPRUKMRIOP-ZDUSSCGKSA-N
XLogP3.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.73
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-2-phenylethenyl]azepane
CID 146169339
iodomethane;1-[(E)-2-phenylethenyl]piperidine
CID 20839071
4-methyl-1-(2-phenylethenyl)piperidine
CID 174298455
(2R)-2-methyl-1-[(E)-2-phenylethenyl]pyrrolidine
CID 134863569
N-methyl-1-(2-phenylethenyl)piperidin-4-amine
CID 174773972
4-[(E)-2-phenylethenyl]-1,4-thiazinane 1,1-dioxide
CID 58283179
3-methyl-N-[2-oxo-1-[(E)-2-phenylethenyl]piperidin-3-yl]but-2-enamide
CID 138989894
1-(3-aminopiperidin-1-yl)-3-phenylprop-2-en-1-one
CID 61295900
triphenyl-[(2S)-1-[(E)-2-phenylethenyl]pyrrolidin-2-yl]silane
CID 139123609
4-[(E)-2-phenylethenyl]thiomorpholine
CID 146169340
(3R)-3-chloro-1-[(1R)-1-phenylethyl]piperidine
CID 102227667
(2Z,4E)-1-(3-methylpiperidin-1-yl)-5-phenylpenta-2,4-dien-1-one
CID 24842724

Frequently Asked Questions

What is the IUPAC name of (3S)-3-chloro-1-(2-phenylethenyl)piperidine?
The IUPAC name of (3S)-3-chloro-1-(2-phenylethenyl)piperidine (CID 174317120) is (3S)-3-chloro-1-(2-phenylethenyl)piperidine.
What is the SMILES notation for (3S)-3-chloro-1-(2-phenylethenyl)piperidine?
The canonical SMILES for (3S)-3-chloro-1-(2-phenylethenyl)piperidine is Cl[C@H]1CCCN(C=Cc2ccccc2)C1.
What is the InChIKey of (3S)-3-chloro-1-(2-phenylethenyl)piperidine?
The InChIKey is STORVPRUKMRIOP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H16ClN/c14-13-7-4-9-15(11-13)10-8-12-5-2-1-3-6-12/h1-3,5-6,8,10,13H,4,7,9,11H2/t13-/m0/s1.
What are the key properties of (3S)-3-chloro-1-(2-phenylethenyl)piperidine?
(3S)-3-chloro-1-(2-phenylethenyl)piperidine has a molecular weight of 221.73 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-chloro-1-(2-phenylethenyl)piperidine is sourced from PubChem (CID 174317120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).