(3R)-3-chloro-1-[(1R)-1-phenylethyl]piperidine

C13H18ClN — CID 102227667

IUPAC(3R)-3-chloro-1-[(1R)-1-phenylethyl]piperidine
SMILESC[C@H](c1ccccc1)N1CCC[C@@H](Cl)C1
InChIInChI=1S/C13H18ClN/c1-11(12-6-3-2-4-7-12)15-9-5-8-13(14)10-15/h2-4,6-7,11,13H,5,8-10H2,1H3/t11-,13-/m1/s1
InChIKeyCPLXJAQNEMZWPI-DGCLKSJQSA-N
MW223.75 g/mol
LogP3.45
Rot. Bonds2

About (3R)-3-chloro-1-[(1R)-1-phenylethyl]piperidine

(3R)-3-chloro-1-[(1R)-1-phenylethyl]piperidine (PubChem CID 102227667) has the molecular formula C13H18ClN and a molecular weight of 223.75 g/mol. Its IUPAC name is (3R)-3-chloro-1-[(1R)-1-phenylethyl]piperidine.

Molecular Properties

Compound Name(3R)-3-chloro-1-[(1R)-1-phenylethyl]piperidine
PubChem CID102227667
Molecular FormulaC13H18ClN
Molecular Weight223.75 g/mol
Exact Mass223.11
IUPAC Name(3R)-3-chloro-1-[(1R)-1-phenylethyl]piperidine
SMILESC[C@H](c1ccccc1)N1CCC[C@@H](Cl)C1
InChIInChI=1S/C13H18ClN/c1-11(12-6-3-2-4-7-12)15-9-5-8-13(14)10-15/h2-4,6-7,11,13H,5,8-10H2,1H3/t11-,13-/m1/s1
InChIKeyCPLXJAQNEMZWPI-DGCLKSJQSA-N
XLogP3.45
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.75
LogP ≤ 53.45
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

(3R)-3-methyl-1-[(1S)-1-phenylethyl]piperidine
CID 145119255
1-(1-phenylethyl)-3-propan-2-ylpiperidine
CID 134236210
N-methyl-1-[1-(1-phenylethyl)piperidin-3-yl]methanamine;hydrochloride
CID 119914413
1-[(1S)-1-phenylethyl]pyrrolidin-3-ol
CID 69382807
3-methyl-1-(1-phenylethyl)-1,4-diazepane
CID 64944864
1-[(1S)-1-phenylethyl]-4-[(1R)-1-phenylethyl]piperazine
CID 3246046
2-methyl-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]propanamide
CID 94197653
2-methyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]propanamide
CID 47070507
(3R)-N-ethyl-1-[(1R)-1-phenylethyl]pyrrolidin-3-amine
CID 98177963
cyclopropyl-[1-(1-phenylethyl)pyrrolidin-3-yl]methanone
CID 22633923
tert-butyl (3S)-1-(1-phenylethyl)piperidine-3-carboxylate;(3S)-1-(1-phenylethyl)piperidine-3-carboxylic acid
CID 162050309
[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]methanamine
CID 2237132

Frequently Asked Questions

What is the IUPAC name of (3R)-3-chloro-1-[(1R)-1-phenylethyl]piperidine?
The IUPAC name of (3R)-3-chloro-1-[(1R)-1-phenylethyl]piperidine (CID 102227667) is (3R)-3-chloro-1-[(1R)-1-phenylethyl]piperidine.
What is the SMILES notation for (3R)-3-chloro-1-[(1R)-1-phenylethyl]piperidine?
The canonical SMILES for (3R)-3-chloro-1-[(1R)-1-phenylethyl]piperidine is C[C@H](c1ccccc1)N1CCC[C@@H](Cl)C1.
What is the InChIKey of (3R)-3-chloro-1-[(1R)-1-phenylethyl]piperidine?
The InChIKey is CPLXJAQNEMZWPI-DGCLKSJQSA-N. The full InChI is InChI=1S/C13H18ClN/c1-11(12-6-3-2-4-7-12)15-9-5-8-13(14)10-15/h2-4,6-7,11,13H,5,8-10H2,1H3/t11-,13-/m1/s1.
What are the key properties of (3R)-3-chloro-1-[(1R)-1-phenylethyl]piperidine?
(3R)-3-chloro-1-[(1R)-1-phenylethyl]piperidine has a molecular weight of 223.75 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-chloro-1-[(1R)-1-phenylethyl]piperidine is sourced from PubChem (CID 102227667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).