N-[(3-chloro-4-fluorophenyl)methyl]-1-cyclopropylpiperidin-4-amine

C15H20ClFN2 — CID 81144619

IUPACN-[(3-chloro-4-fluorophenyl)methyl]-1-cyclopropylpiperidin-4-amine
SMILESFc1ccc(CNC2CCN(C3CC3)CC2)cc1Cl
InChIInChI=1S/C15H20ClFN2/c16-14-9-11(1-4-15(14)17)10-18-12-5-7-19(8-6-12)13-2-3-13/h1,4,9,12-13,18H,2-3,5-8,10H2
InChIKeyQWTZIORFXYXZBM-UHFFFAOYSA-N
MW282.79 g/mol
LogP3.20
Rot. Bonds4

About N-[(3-chloro-4-fluorophenyl)methyl]-1-cyclopropylpiperidin-4-amine

N-[(3-chloro-4-fluorophenyl)methyl]-1-cyclopropylpiperidin-4-amine (PubChem CID 81144619) has the molecular formula C15H20ClFN2 and a molecular weight of 282.79 g/mol. Its IUPAC name is N-[(3-chloro-4-fluorophenyl)methyl]-1-cyclopropylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(3-chloro-4-fluorophenyl)methyl]-1-cyclopropylpiperidin-4-amine
PubChem CID81144619
Molecular FormulaC15H20ClFN2
Molecular Weight282.79 g/mol
Exact Mass282.13
IUPAC NameN-[(3-chloro-4-fluorophenyl)methyl]-1-cyclopropylpiperidin-4-amine
SMILESFc1ccc(CNC2CCN(C3CC3)CC2)cc1Cl
InChIInChI=1S/C15H20ClFN2/c16-14-9-11(1-4-15(14)17)10-18-12-5-7-19(8-6-12)13-2-3-13/h1,4,9,12-13,18H,2-3,5-8,10H2
InChIKeyQWTZIORFXYXZBM-UHFFFAOYSA-N
XLogP3.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.79
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-bromo-3-chlorophenyl)methyl]-1-cyclopropylpiperidin-4-amine
CID 103581523
4-[[(1-cyclopropylpiperidin-4-yl)amino]methyl]-2-fluorophenol
CID 107685595
N-[(3-chloro-4-fluorophenyl)methyl]-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 62538080
1-cyclopropyl-N-[(4-fluorophenyl)methyl]piperidin-4-amine
CID 43234139
4-tert-butyl-N-[(3-chloro-4-fluorophenyl)methyl]cyclohexan-1-amine
CID 63476637
N-[(2-chloro-6-fluorophenyl)methyl]-1-cyclopropylpiperidin-4-amine
CID 43234137
N-[[3-chloro-4-(3-chloro-4-fluorophenoxy)phenyl]methyl]cyclopropanamine
CID 81151397
1-cyclopropyl-N-(naphthalen-2-ylmethyl)piperidin-4-amine
CID 43234184
4-[(3-chloro-4-fluorophenyl)methylamino]cyclohexane-1-carboxylic acid
CID 81155541
N-[(3-chloro-4-fluorophenyl)methyl]-2,3-dihydro-1H-inden-2-amine
CID 62539237
N-[(3-chloro-4-fluorophenyl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine
CID 62537092
1-[1-[(3-chloro-4-fluorophenyl)methyl]piperidin-4-yl]piperidin-4-ol
CID 70735974

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-1-cyclopropylpiperidin-4-amine?
The IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-1-cyclopropylpiperidin-4-amine (CID 81144619) is N-[(3-chloro-4-fluorophenyl)methyl]-1-cyclopropylpiperidin-4-amine.
What is the SMILES notation for N-[(3-chloro-4-fluorophenyl)methyl]-1-cyclopropylpiperidin-4-amine?
The canonical SMILES for N-[(3-chloro-4-fluorophenyl)methyl]-1-cyclopropylpiperidin-4-amine is Fc1ccc(CNC2CCN(C3CC3)CC2)cc1Cl.
What is the InChIKey of N-[(3-chloro-4-fluorophenyl)methyl]-1-cyclopropylpiperidin-4-amine?
The InChIKey is QWTZIORFXYXZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClFN2/c16-14-9-11(1-4-15(14)17)10-18-12-5-7-19(8-6-12)13-2-3-13/h1,4,9,12-13,18H,2-3,5-8,10H2.
What are the key properties of N-[(3-chloro-4-fluorophenyl)methyl]-1-cyclopropylpiperidin-4-amine?
N-[(3-chloro-4-fluorophenyl)methyl]-1-cyclopropylpiperidin-4-amine has a molecular weight of 282.79 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-fluorophenyl)methyl]-1-cyclopropylpiperidin-4-amine is sourced from PubChem (CID 81144619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).