1-cyclopropyl-N-[[4-(difluoromethoxy)phenyl]methyl]piperidin-4-amine

C16H22F2N2O — CID 43234150

IUPAC1-cyclopropyl-N-[[4-(difluoromethoxy)phenyl]methyl]piperidin-4-amine
SMILESFC(F)Oc1ccc(CNC2CCN(C3CC3)CC2)cc1
InChIInChI=1S/C16H22F2N2O/c17-16(18)21-15-5-1-12(2-6-15)11-19-13-7-9-20(10-8-13)14-3-4-14/h1-2,5-6,13-14,16,19H,3-4,7-11H2
InChIKeyOTNUUAQSAXQTTO-UHFFFAOYSA-N
MW296.36 g/mol
LogP3.00
Rot. Bonds6

About 1-cyclopropyl-N-[[4-(difluoromethoxy)phenyl]methyl]piperidin-4-amine

1-cyclopropyl-N-[[4-(difluoromethoxy)phenyl]methyl]piperidin-4-amine (PubChem CID 43234150) has the molecular formula C16H22F2N2O and a molecular weight of 296.36 g/mol. Its IUPAC name is 1-cyclopropyl-N-[[4-(difluoromethoxy)phenyl]methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-[[4-(difluoromethoxy)phenyl]methyl]piperidin-4-amine
PubChem CID43234150
Molecular FormulaC16H22F2N2O
Molecular Weight296.36 g/mol
Exact Mass296.17
IUPAC Name1-cyclopropyl-N-[[4-(difluoromethoxy)phenyl]methyl]piperidin-4-amine
SMILESFC(F)Oc1ccc(CNC2CCN(C3CC3)CC2)cc1
InChIInChI=1S/C16H22F2N2O/c17-16(18)21-15-5-1-12(2-6-15)11-19-13-7-9-20(10-8-13)14-3-4-14/h1-2,5-6,13-14,16,19H,3-4,7-11H2
InChIKeyOTNUUAQSAXQTTO-UHFFFAOYSA-N
XLogP3.00
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-cyclopropyl-N-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidin-3-amine
CID 129366905
1-cyclopropyl-N-[(4-fluorophenyl)methyl]piperidin-4-amine
CID 43234139
N-[[4-(difluoromethoxy)phenyl]methyl]-3,4-dimethylcyclohexan-1-amine
CID 64733158
N-[[4-(difluoromethoxy)phenyl]methyl]-3-methylcyclohexan-1-amine
CID 43082013
N-[[4-(difluoromethoxy)phenyl]methyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105363768
N-[(4-bromophenyl)methyl]-1-cyclopentylpiperidin-4-amine
CID 90423096
4-[[(1-cyclopropylpiperidin-4-yl)amino]methyl]-2-fluorophenol
CID 107685595
N-[(3-chloro-4-fluorophenyl)methyl]-1-cyclopropylpiperidin-4-amine
CID 81144619
2-(cyclopropylamino)-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide
CID 60703371
1-cyclopropyl-N-[(4-iodophenyl)methyl]pyrrolidin-3-amine
CID 65477786
1-cyclopropyl-N-[(4-methoxy-3-methylphenyl)methyl]piperidin-4-amine
CID 43234267
N-[(4-propan-2-yloxyphenyl)methyl]cyclopentanamine
CID 43434812

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[[4-(difluoromethoxy)phenyl]methyl]piperidin-4-amine?
The IUPAC name of 1-cyclopropyl-N-[[4-(difluoromethoxy)phenyl]methyl]piperidin-4-amine (CID 43234150) is 1-cyclopropyl-N-[[4-(difluoromethoxy)phenyl]methyl]piperidin-4-amine.
What is the SMILES notation for 1-cyclopropyl-N-[[4-(difluoromethoxy)phenyl]methyl]piperidin-4-amine?
The canonical SMILES for 1-cyclopropyl-N-[[4-(difluoromethoxy)phenyl]methyl]piperidin-4-amine is FC(F)Oc1ccc(CNC2CCN(C3CC3)CC2)cc1.
What is the InChIKey of 1-cyclopropyl-N-[[4-(difluoromethoxy)phenyl]methyl]piperidin-4-amine?
The InChIKey is OTNUUAQSAXQTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O/c17-16(18)21-15-5-1-12(2-6-15)11-19-13-7-9-20(10-8-13)14-3-4-14/h1-2,5-6,13-14,16,19H,3-4,7-11H2.
What are the key properties of 1-cyclopropyl-N-[[4-(difluoromethoxy)phenyl]methyl]piperidin-4-amine?
1-cyclopropyl-N-[[4-(difluoromethoxy)phenyl]methyl]piperidin-4-amine has a molecular weight of 296.36 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[[4-(difluoromethoxy)phenyl]methyl]piperidin-4-amine is sourced from PubChem (CID 43234150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).