(R)-(3-phenoxyphenyl)-piperidin-4-ylmethanamine;hydrochloride

C18H23ClN2O — CID 171314167

IUPAC(R)-(3-phenoxyphenyl)-piperidin-4-ylmethanamine;hydrochloride
SMILESCl.N[C@@H](c1cccc(Oc2ccccc2)c1)C1CCNCC1
InChIInChI=1S/C18H22N2O.ClH/c19-18(14-9-11-20-12-10-14)15-5-4-8-17(13-15)21-16-6-2-1-3-7-16;/h1-8,13-14,18,20H,9-12,19H2;1H/t18-;/m1./s1
InChIKeyXWMQOLGAFQMATL-GMUIIQOCSA-N
MW318.85 g/mol
LogP3.90
Rot. Bonds4

About (R)-(3-phenoxyphenyl)-piperidin-4-ylmethanamine;hydrochloride

(R)-(3-phenoxyphenyl)-piperidin-4-ylmethanamine;hydrochloride (PubChem CID 171314167) has the molecular formula C18H23ClN2O and a molecular weight of 318.85 g/mol. Its IUPAC name is (R)-(3-phenoxyphenyl)-piperidin-4-ylmethanamine;hydrochloride.

Molecular Properties

Compound Name(R)-(3-phenoxyphenyl)-piperidin-4-ylmethanamine;hydrochloride
PubChem CID171314167
Molecular FormulaC18H23ClN2O
Molecular Weight318.85 g/mol
Exact Mass318.15
IUPAC Name(R)-(3-phenoxyphenyl)-piperidin-4-ylmethanamine;hydrochloride
SMILESCl.N[C@@H](c1cccc(Oc2ccccc2)c1)C1CCNCC1
InChIInChI=1S/C18H22N2O.ClH/c19-18(14-9-11-20-12-10-14)15-5-4-8-17(13-15)21-16-6-2-1-3-7-16;/h1-8,13-14,18,20H,9-12,19H2;1H/t18-;/m1./s1
InChIKeyXWMQOLGAFQMATL-GMUIIQOCSA-N
XLogP3.90
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.85
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-cyclohexyl-(3-phenoxyphenyl)methanamine;hydrochloride
CID 171220083
(R)-[3-(difluoromethoxy)phenyl]-piperidin-4-ylmethanamine;hydrochloride
CID 171314391
3-[(R)-amino(piperidin-4-yl)methyl]phenol;hydrochloride
CID 171314082
(R)-(3-chlorophenyl)-piperidin-4-ylmethanamine
CID 171314128
(1S)-2-cyclopropyl-1-(3-phenoxyphenyl)ethanamine;hydrochloride
CID 171220070
(1R)-2-cyclopropyl-1-(3-phenoxyphenyl)ethanamine
CID 171200529
(R)-cyclopropyl-[3-(difluoromethoxy)phenyl]methanamine;hydrochloride
CID 171206136
(R)-(4-phenylmethoxyphenyl)-piperidin-4-ylmethanamine;hydrochloride
CID 171314574
azetidin-3-yl-(4-phenoxyphenyl)methanamine
CID 116935313
(R)-cyclopropyl-[3-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171210195
(R)-(3-nitrophenyl)-piperidin-4-ylmethanamine
CID 171314060
(R)-(3,4-dichlorophenyl)-piperidin-4-ylmethanamine;hydrochloride
CID 171314201

Frequently Asked Questions

What is the IUPAC name of (R)-(3-phenoxyphenyl)-piperidin-4-ylmethanamine;hydrochloride?
The IUPAC name of (R)-(3-phenoxyphenyl)-piperidin-4-ylmethanamine;hydrochloride (CID 171314167) is (R)-(3-phenoxyphenyl)-piperidin-4-ylmethanamine;hydrochloride.
What is the SMILES notation for (R)-(3-phenoxyphenyl)-piperidin-4-ylmethanamine;hydrochloride?
The canonical SMILES for (R)-(3-phenoxyphenyl)-piperidin-4-ylmethanamine;hydrochloride is Cl.N[C@@H](c1cccc(Oc2ccccc2)c1)C1CCNCC1.
What is the InChIKey of (R)-(3-phenoxyphenyl)-piperidin-4-ylmethanamine;hydrochloride?
The InChIKey is XWMQOLGAFQMATL-GMUIIQOCSA-N. The full InChI is InChI=1S/C18H22N2O.ClH/c19-18(14-9-11-20-12-10-14)15-5-4-8-17(13-15)21-16-6-2-1-3-7-16;/h1-8,13-14,18,20H,9-12,19H2;1H/t18-;/m1./s1.
What are the key properties of (R)-(3-phenoxyphenyl)-piperidin-4-ylmethanamine;hydrochloride?
(R)-(3-phenoxyphenyl)-piperidin-4-ylmethanamine;hydrochloride has a molecular weight of 318.85 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(3-phenoxyphenyl)-piperidin-4-ylmethanamine;hydrochloride is sourced from PubChem (CID 171314167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).