4-[(2S,4R)-2-phenylpiperidin-4-yl]morpholine;hydrochloride

C15H23ClN2O — CID 165142296

IUPAC4-[(2S,4R)-2-phenylpiperidin-4-yl]morpholine;hydrochloride
SMILESCl.c1ccc([C@@H]2C[C@H](N3CCOCC3)CCN2)cc1
InChIInChI=1S/C15H22N2O.ClH/c1-2-4-13(5-3-1)15-12-14(6-7-16-15)17-8-10-18-11-9-17;/h1-5,14-16H,6-12H2;1H/t14-,15+;/m1./s1
InChIKeyLCMNXVKXWRIVAL-LIOBNPLQSA-N
MW282.81 g/mol
LogP2.23
Rot. Bonds2

About 4-[(2S,4R)-2-phenylpiperidin-4-yl]morpholine;hydrochloride

4-[(2S,4R)-2-phenylpiperidin-4-yl]morpholine;hydrochloride (PubChem CID 165142296) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 4-[(2S,4R)-2-phenylpiperidin-4-yl]morpholine;hydrochloride.

Molecular Properties

Compound Name4-[(2S,4R)-2-phenylpiperidin-4-yl]morpholine;hydrochloride
PubChem CID165142296
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name4-[(2S,4R)-2-phenylpiperidin-4-yl]morpholine;hydrochloride
SMILESCl.c1ccc([C@@H]2C[C@H](N3CCOCC3)CCN2)cc1
InChIInChI=1S/C15H22N2O.ClH/c1-2-4-13(5-3-1)15-12-14(6-7-16-15)17-8-10-18-11-9-17;/h1-5,14-16H,6-12H2;1H/t14-,15+;/m1./s1
InChIKeyLCMNXVKXWRIVAL-LIOBNPLQSA-N
XLogP2.23
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 174746441
(5S)-5-phenyl-1,4-oxazepane
CID 86332618
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CID 66330695
4-(cyclopropylmethyl)-2-phenylpiperidine
CID 174205891
(2S)-4-ethyl-2-phenylpiperidine
CID 170718389
4-fluoro-1-(2-phenyloxan-4-yl)piperidine
CID 68995810
3-(oxan-4-yl)-2-phenylpyrrolidine
CID 62722563
1-chloro-3-phenylpiperazine
CID 18428014
1-(2,2-dimethyloxan-4-yl)-3-phenylpiperazine
CID 83040309
4-[(1R,3S)-3-methylcyclopentyl]morpholine
CID 7448488
(2S)-2-phenylpiperidine
CID 10997356
(4-morpholin-4-yl-1-phenylcyclohexyl)methanamine;dihydrochloride
CID 89350366

Frequently Asked Questions

What is the IUPAC name of 4-[(2S,4R)-2-phenylpiperidin-4-yl]morpholine;hydrochloride?
The IUPAC name of 4-[(2S,4R)-2-phenylpiperidin-4-yl]morpholine;hydrochloride (CID 165142296) is 4-[(2S,4R)-2-phenylpiperidin-4-yl]morpholine;hydrochloride.
What is the SMILES notation for 4-[(2S,4R)-2-phenylpiperidin-4-yl]morpholine;hydrochloride?
The canonical SMILES for 4-[(2S,4R)-2-phenylpiperidin-4-yl]morpholine;hydrochloride is Cl.c1ccc([C@@H]2C[C@H](N3CCOCC3)CCN2)cc1.
What is the InChIKey of 4-[(2S,4R)-2-phenylpiperidin-4-yl]morpholine;hydrochloride?
The InChIKey is LCMNXVKXWRIVAL-LIOBNPLQSA-N. The full InChI is InChI=1S/C15H22N2O.ClH/c1-2-4-13(5-3-1)15-12-14(6-7-16-15)17-8-10-18-11-9-17;/h1-5,14-16H,6-12H2;1H/t14-,15+;/m1./s1.
What are the key properties of 4-[(2S,4R)-2-phenylpiperidin-4-yl]morpholine;hydrochloride?
4-[(2S,4R)-2-phenylpiperidin-4-yl]morpholine;hydrochloride has a molecular weight of 282.81 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S,4R)-2-phenylpiperidin-4-yl]morpholine;hydrochloride is sourced from PubChem (CID 165142296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).