(R)-[3-(difluoromethoxy)phenyl]-piperidin-4-ylmethanamine;hydrochloride

C13H19ClF2N2O — CID 171314391

IUPAC(R)-[3-(difluoromethoxy)phenyl]-piperidin-4-ylmethanamine;hydrochloride
SMILESCl.N[C@@H](c1cccc(OC(F)F)c1)C1CCNCC1
InChIInChI=1S/C13H18F2N2O.ClH/c14-13(15)18-11-3-1-2-10(8-11)12(16)9-4-6-17-7-5-9;/h1-3,8-9,12-13,17H,4-7,16H2;1H/t12-;/m1./s1
InChIKeyYKSQKCRKQFJAAC-UTONKHPSSA-N
MW292.76 g/mol
LogP2.71
Rot. Bonds4

About (R)-[3-(difluoromethoxy)phenyl]-piperidin-4-ylmethanamine;hydrochloride

(R)-[3-(difluoromethoxy)phenyl]-piperidin-4-ylmethanamine;hydrochloride (PubChem CID 171314391) has the molecular formula C13H19ClF2N2O and a molecular weight of 292.76 g/mol. Its IUPAC name is (R)-[3-(difluoromethoxy)phenyl]-piperidin-4-ylmethanamine;hydrochloride.

Molecular Properties

Compound Name(R)-[3-(difluoromethoxy)phenyl]-piperidin-4-ylmethanamine;hydrochloride
PubChem CID171314391
Molecular FormulaC13H19ClF2N2O
Molecular Weight292.76 g/mol
Exact Mass292.12
IUPAC Name(R)-[3-(difluoromethoxy)phenyl]-piperidin-4-ylmethanamine;hydrochloride
SMILESCl.N[C@@H](c1cccc(OC(F)F)c1)C1CCNCC1
InChIInChI=1S/C13H18F2N2O.ClH/c14-13(15)18-11-3-1-2-10(8-11)12(16)9-4-6-17-7-5-9;/h1-3,8-9,12-13,17H,4-7,16H2;1H/t12-;/m1./s1
InChIKeyYKSQKCRKQFJAAC-UTONKHPSSA-N
XLogP2.71
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.76
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-cyclopropyl-[3-(difluoromethoxy)phenyl]methanamine;hydrochloride
CID 171206136
(S)-cyclobutyl-[3-(difluoromethoxy)phenyl]methanamine;hydrochloride
CID 171225709
(R)-cyclohexyl-[3-(difluoromethoxy)phenyl]methanamine
CID 171206139
(R)-(3-phenoxyphenyl)-piperidin-4-ylmethanamine;hydrochloride
CID 171314167
(1R,2S)-2-amino-1-cyclopropyl-2-[3-(difluoromethoxy)phenyl]ethanol;hydrochloride
CID 171268438
1-[(S)-cyclopropyl-[3-(difluoromethoxy)phenyl]methyl]piperazine
CID 171278221
3-[(R)-amino(piperidin-4-yl)methyl]phenol;hydrochloride
CID 171314082
(R)-(3-chlorophenyl)-piperidin-4-ylmethanamine
CID 171314128
(R)-cyclopropyl-[3-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171210195
(1S,2R)-2-amino-1-cyclopentyl-2-[3-(difluoromethoxy)phenyl]ethanol;hydrochloride
CID 171262769
1-[(S)-cyclopentyl-[3-(difluoromethoxy)phenyl]methyl]piperazine
CID 171165047
1-[(S)-[3-(difluoromethoxy)phenyl]-(oxan-4-yl)methyl]piperazine;dihydrochloride
CID 171278228

Frequently Asked Questions

What is the IUPAC name of (R)-[3-(difluoromethoxy)phenyl]-piperidin-4-ylmethanamine;hydrochloride?
The IUPAC name of (R)-[3-(difluoromethoxy)phenyl]-piperidin-4-ylmethanamine;hydrochloride (CID 171314391) is (R)-[3-(difluoromethoxy)phenyl]-piperidin-4-ylmethanamine;hydrochloride.
What is the SMILES notation for (R)-[3-(difluoromethoxy)phenyl]-piperidin-4-ylmethanamine;hydrochloride?
The canonical SMILES for (R)-[3-(difluoromethoxy)phenyl]-piperidin-4-ylmethanamine;hydrochloride is Cl.N[C@@H](c1cccc(OC(F)F)c1)C1CCNCC1.
What is the InChIKey of (R)-[3-(difluoromethoxy)phenyl]-piperidin-4-ylmethanamine;hydrochloride?
The InChIKey is YKSQKCRKQFJAAC-UTONKHPSSA-N. The full InChI is InChI=1S/C13H18F2N2O.ClH/c14-13(15)18-11-3-1-2-10(8-11)12(16)9-4-6-17-7-5-9;/h1-3,8-9,12-13,17H,4-7,16H2;1H/t12-;/m1./s1.
What are the key properties of (R)-[3-(difluoromethoxy)phenyl]-piperidin-4-ylmethanamine;hydrochloride?
(R)-[3-(difluoromethoxy)phenyl]-piperidin-4-ylmethanamine;hydrochloride has a molecular weight of 292.76 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[3-(difluoromethoxy)phenyl]-piperidin-4-ylmethanamine;hydrochloride is sourced from PubChem (CID 171314391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).