(3R)-1-[[4-(difluoromethoxy)phenyl]methyl]piperidin-3-amine;hydrochloride

C13H19ClF2N2O — CID 167713987

IUPAC(3R)-1-[[4-(difluoromethoxy)phenyl]methyl]piperidin-3-amine;hydrochloride
SMILESCl.N[C@@H]1CCCN(Cc2ccc(OC(F)F)cc2)C1
InChIInChI=1S/C13H18F2N2O.ClH/c14-13(15)18-12-5-3-10(4-6-12)8-17-7-1-2-11(16)9-17;/h3-6,11,13H,1-2,7-9,16H2;1H/t11-;/m1./s1
InChIKeyWMUPJSBFXJZFQR-RFVHGSKJSA-N
MW292.76 g/mol
LogP2.63
Rot. Bonds4

About (3R)-1-[[4-(difluoromethoxy)phenyl]methyl]piperidin-3-amine;hydrochloride

(3R)-1-[[4-(difluoromethoxy)phenyl]methyl]piperidin-3-amine;hydrochloride (PubChem CID 167713987) has the molecular formula C13H19ClF2N2O and a molecular weight of 292.76 g/mol. Its IUPAC name is (3R)-1-[[4-(difluoromethoxy)phenyl]methyl]piperidin-3-amine;hydrochloride.

Molecular Properties

Compound Name(3R)-1-[[4-(difluoromethoxy)phenyl]methyl]piperidin-3-amine;hydrochloride
PubChem CID167713987
Molecular FormulaC13H19ClF2N2O
Molecular Weight292.76 g/mol
Exact Mass292.12
IUPAC Name(3R)-1-[[4-(difluoromethoxy)phenyl]methyl]piperidin-3-amine;hydrochloride
SMILESCl.N[C@@H]1CCCN(Cc2ccc(OC(F)F)cc2)C1
InChIInChI=1S/C13H18F2N2O.ClH/c14-13(15)18-12-5-3-10(4-6-12)8-17-7-1-2-11(16)9-17;/h3-6,11,13H,1-2,7-9,16H2;1H/t11-;/m1./s1
InChIKeyWMUPJSBFXJZFQR-RFVHGSKJSA-N
XLogP2.63
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.76
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(9aS)-2-[[4-(difluoromethoxy)phenyl]methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 124839933
[1-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]methanamine
CID 55030271
1-[[4-(difluoromethoxy)phenyl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120774453
4-[(3-aminopiperidin-1-yl)methyl]benzamide
CID 61295537
(3R)-1-[(4-phenylphenyl)methyl]piperidin-3-amine
CID 102977250
1-[(4-nitrophenyl)methyl]piperidin-3-amine;hydrochloride
CID 119910124
4-[[(3S)-3-aminopiperidin-1-yl]methyl]benzonitrile
CID 24904949
(3R)-1-[(3-chloro-4-fluorophenyl)methyl]piperidin-3-amine
CID 24904788
(3R)-1-[[4-(cyclopropylmethoxy)phenyl]methyl]pyrrolidin-3-amine;hydrochloride
CID 120833880
1-[(4-fluorophenyl)methyl]pyrrolidin-3-amine;dihydrochloride
CID 53422149
(3R)-1-[(4-bromo-3-chlorophenyl)methyl]piperidin-3-amine;hydrochloride
CID 120846008
(3S,4R)-1-[[4-(difluoromethoxy)phenyl]methyl]-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120761188

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[[4-(difluoromethoxy)phenyl]methyl]piperidin-3-amine;hydrochloride?
The IUPAC name of (3R)-1-[[4-(difluoromethoxy)phenyl]methyl]piperidin-3-amine;hydrochloride (CID 167713987) is (3R)-1-[[4-(difluoromethoxy)phenyl]methyl]piperidin-3-amine;hydrochloride.
What is the SMILES notation for (3R)-1-[[4-(difluoromethoxy)phenyl]methyl]piperidin-3-amine;hydrochloride?
The canonical SMILES for (3R)-1-[[4-(difluoromethoxy)phenyl]methyl]piperidin-3-amine;hydrochloride is Cl.N[C@@H]1CCCN(Cc2ccc(OC(F)F)cc2)C1.
What is the InChIKey of (3R)-1-[[4-(difluoromethoxy)phenyl]methyl]piperidin-3-amine;hydrochloride?
The InChIKey is WMUPJSBFXJZFQR-RFVHGSKJSA-N. The full InChI is InChI=1S/C13H18F2N2O.ClH/c14-13(15)18-12-5-3-10(4-6-12)8-17-7-1-2-11(16)9-17;/h3-6,11,13H,1-2,7-9,16H2;1H/t11-;/m1./s1.
What are the key properties of (3R)-1-[[4-(difluoromethoxy)phenyl]methyl]piperidin-3-amine;hydrochloride?
(3R)-1-[[4-(difluoromethoxy)phenyl]methyl]piperidin-3-amine;hydrochloride has a molecular weight of 292.76 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[[4-(difluoromethoxy)phenyl]methyl]piperidin-3-amine;hydrochloride is sourced from PubChem (CID 167713987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).