N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine;hydrochloride

C18H27ClF2N2O2 — CID 119929823

IUPACN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine;hydrochloride
SMILESCOc1cc(CN(CC2CCCNC2)C2CC2)ccc1OC(F)F.Cl
InChIInChI=1S/C18H26F2N2O2.ClH/c1-23-17-9-13(4-7-16(17)24-18(19)20)11-22(15-5-6-15)12-14-3-2-8-21-10-14;/h4,7,9,14-15,18,21H,2-3,5-6,8,10-12H2,1H3;1H
InChIKeyLPYCFKWUVZHFGR-UHFFFAOYSA-N
MW376.88 g/mol
LogP3.68
Rot. Bonds8

About N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine;hydrochloride

N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine;hydrochloride (PubChem CID 119929823) has the molecular formula C18H27ClF2N2O2 and a molecular weight of 376.88 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine;hydrochloride.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine;hydrochloride
PubChem CID119929823
Molecular FormulaC18H27ClF2N2O2
Molecular Weight376.88 g/mol
Exact Mass376.17
IUPAC NameN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine;hydrochloride
SMILESCOc1cc(CN(CC2CCCNC2)C2CC2)ccc1OC(F)F.Cl
InChIInChI=1S/C18H26F2N2O2.ClH/c1-23-17-9-13(4-7-16(17)24-18(19)20)11-22(15-5-6-15)12-14-3-2-8-21-10-14;/h4,7,9,14-15,18,21H,2-3,5-6,8,10-12H2,1H3;1H
InChIKeyLPYCFKWUVZHFGR-UHFFFAOYSA-N
XLogP3.68
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.88
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-bromo-4-methoxyphenyl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106624874
N-[(3-chloro-4-methoxyphenyl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106625030
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methylpyrrolidin-3-amine
CID 63298131
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-[(3-methylpyrrolidin-3-yl)methyl]cyclopropanamine;hydrochloride
CID 120902842
N-[[4-(difluoromethyl)phenyl]methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106624895
1-N-cyclopropyl-1-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methylpropane-1,2-diamine;hydrochloride
CID 120847888
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 103815646
N-[(4-chlorophenyl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine;hydrochloride
CID 119930119
3-[(3,4-dimethoxyphenyl)methyl]piperidine;hydrochloride
CID 17039525
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methylpiperidine-3-carboxamide;hydrochloride
CID 119285874
2-methoxy-5-[[methyl(piperidin-3-ylmethyl)amino]methyl]phenol
CID 103815780
2-methoxy-5-[[methyl(piperidin-3-ylmethyl)amino]methyl]phenol;hydrochloride
CID 119930822

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine;hydrochloride?
The IUPAC name of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine;hydrochloride (CID 119929823) is N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine;hydrochloride.
What is the SMILES notation for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine;hydrochloride?
The canonical SMILES for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine;hydrochloride is COc1cc(CN(CC2CCCNC2)C2CC2)ccc1OC(F)F.Cl.
What is the InChIKey of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine;hydrochloride?
The InChIKey is LPYCFKWUVZHFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F2N2O2.ClH/c1-23-17-9-13(4-7-16(17)24-18(19)20)11-22(15-5-6-15)12-14-3-2-8-21-10-14;/h4,7,9,14-15,18,21H,2-3,5-6,8,10-12H2,1H3;1H.
What are the key properties of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine;hydrochloride?
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine;hydrochloride has a molecular weight of 376.88 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine;hydrochloride is sourced from PubChem (CID 119929823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).