1-[(1S)-1-phenylethyl]piperidine

C13H19N — CID 11851196

IUPAC1-[(1S)-1-phenylethyl]piperidine
SMILESC[C@@H](c1ccccc1)N1CCCCC1
InChIInChI=1S/C13H19N/c1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2,4-5,8-9,12H,3,6-7,10-11H2,1H3/t12-/m0/s1
InChIKeyYJRQILVMFCZHHL-LBPRGKRZSA-N
MW189.30 g/mol
LogP3.23
Rot. Bonds2

About 1-[(1S)-1-phenylethyl]piperidine

1-[(1S)-1-phenylethyl]piperidine (PubChem CID 11851196) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 1-[(1S)-1-phenylethyl]piperidine.

Molecular Properties

Compound Name1-[(1S)-1-phenylethyl]piperidine
PubChem CID11851196
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name1-[(1S)-1-phenylethyl]piperidine
SMILESC[C@@H](c1ccccc1)N1CCCCC1
InChIInChI=1S/C13H19N/c1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2,4-5,8-9,12H,3,6-7,10-11H2,1H3/t12-/m0/s1
InChIKeyYJRQILVMFCZHHL-LBPRGKRZSA-N
XLogP3.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-phenylethyl]piperidine?
The IUPAC name of 1-[(1S)-1-phenylethyl]piperidine (CID 11851196) is 1-[(1S)-1-phenylethyl]piperidine.
What is the SMILES notation for 1-[(1S)-1-phenylethyl]piperidine?
The canonical SMILES for 1-[(1S)-1-phenylethyl]piperidine is C[C@@H](c1ccccc1)N1CCCCC1.
What is the InChIKey of 1-[(1S)-1-phenylethyl]piperidine?
The InChIKey is YJRQILVMFCZHHL-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H19N/c1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2,4-5,8-9,12H,3,6-7,10-11H2,1H3/t12-/m0/s1.
What are the key properties of 1-[(1S)-1-phenylethyl]piperidine?
1-[(1S)-1-phenylethyl]piperidine has a molecular weight of 189.30 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-phenylethyl]piperidine is sourced from PubChem (CID 11851196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).