(2R)-2-[(1R)-2-methoxy-1-phenylethyl]piperidine;hydrochloride

C14H22ClNO — CID 16719674

IUPAC(2R)-2-[(1R)-2-methoxy-1-phenylethyl]piperidine;hydrochloride
SMILESCOC[C@H](c1ccccc1)[C@H]1CCCCN1.Cl
InChIInChI=1S/C14H21NO.ClH/c1-16-11-13(12-7-3-2-4-8-12)14-9-5-6-10-15-14;/h2-4,7-8,13-15H,5-6,9-11H2,1H3;1H/t13-,14-;/m1./s1
InChIKeyBDMVVSRHZLDDIQ-DTPOWOMPSA-N
MW255.79 g/mol
LogP2.98
Rot. Bonds4

About (2R)-2-[(1R)-2-methoxy-1-phenylethyl]piperidine;hydrochloride

(2R)-2-[(1R)-2-methoxy-1-phenylethyl]piperidine;hydrochloride (PubChem CID 16719674) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is (2R)-2-[(1R)-2-methoxy-1-phenylethyl]piperidine;hydrochloride.

Molecular Properties

Compound Name(2R)-2-[(1R)-2-methoxy-1-phenylethyl]piperidine;hydrochloride
PubChem CID16719674
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name(2R)-2-[(1R)-2-methoxy-1-phenylethyl]piperidine;hydrochloride
SMILESCOC[C@H](c1ccccc1)[C@H]1CCCCN1.Cl
InChIInChI=1S/C14H21NO.ClH/c1-16-11-13(12-7-3-2-4-8-12)14-9-5-6-10-15-14;/h2-4,7-8,13-15H,5-6,9-11H2,1H3;1H/t13-,14-;/m1./s1
InChIKeyBDMVVSRHZLDDIQ-DTPOWOMPSA-N
XLogP2.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1R)-2-methoxy-1-phenylethyl]piperidine;hydrochloride?
The IUPAC name of (2R)-2-[(1R)-2-methoxy-1-phenylethyl]piperidine;hydrochloride (CID 16719674) is (2R)-2-[(1R)-2-methoxy-1-phenylethyl]piperidine;hydrochloride.
What is the SMILES notation for (2R)-2-[(1R)-2-methoxy-1-phenylethyl]piperidine;hydrochloride?
The canonical SMILES for (2R)-2-[(1R)-2-methoxy-1-phenylethyl]piperidine;hydrochloride is COC[C@H](c1ccccc1)[C@H]1CCCCN1.Cl.
What is the InChIKey of (2R)-2-[(1R)-2-methoxy-1-phenylethyl]piperidine;hydrochloride?
The InChIKey is BDMVVSRHZLDDIQ-DTPOWOMPSA-N. The full InChI is InChI=1S/C14H21NO.ClH/c1-16-11-13(12-7-3-2-4-8-12)14-9-5-6-10-15-14;/h2-4,7-8,13-15H,5-6,9-11H2,1H3;1H/t13-,14-;/m1./s1.
What are the key properties of (2R)-2-[(1R)-2-methoxy-1-phenylethyl]piperidine;hydrochloride?
(2R)-2-[(1R)-2-methoxy-1-phenylethyl]piperidine;hydrochloride has a molecular weight of 255.79 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1R)-2-methoxy-1-phenylethyl]piperidine;hydrochloride is sourced from PubChem (CID 16719674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).